N,N-dimethylethanamine;(Z)-N,N-dimethylprop-1-en-1-amine;2-methylbutane;2-methylbut-2-ene;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane

C47H104N2 — CID 157119159

IUPACN,N-dimethylethanamine;(Z)-N,N-dimethylprop-1-en-1-amine;2-methylbutane;2-methylbut-2-ene;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane
SMILESC/C=C(/C)CC.C/C=C\C(C)C.C/C=C\N(C)C.CC(C)C.CC=C(C)C.CCC(C)C.CCC=C(C)C.CCCC(C)C.CCN(C)C
InChIInChI=1S/C6H14.3C6H12.C5H11N.C5H12.C5H10.C4H11N.C4H10/c3*1-4-5-6(2)3;1-4-6(3)5-2;1-4-5-6(2)3;3*1-4-5(2)3;1-4(2)3/h6H,4-5H2,1-3H3;5H,4H2,1-3H3;4-6H,1-3H3;4H,5H2,1-3H3;4-5H,1-3H3;5H,4H2,1-3H3;4H,1-3H3;4H2,1-3H3;4H,1-3H3/b;;5-4-;6-4-;5-4-;;;;
InChIKeyAHTIWFLMEDFCQQ-JPMKUZBGSA-N
MW697.36 g/mol
LogP16.72
Rot. Bonds8

About N,N-dimethylethanamine;(Z)-N,N-dimethylprop-1-en-1-amine;2-methylbutane;2-methylbut-2-ene;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane

N,N-dimethylethanamine;(Z)-N,N-dimethylprop-1-en-1-amine;2-methylbutane;2-methylbut-2-ene;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane (PubChem CID 157119159) has the molecular formula C47H104N2 and a molecular weight of 697.36 g/mol. Its IUPAC name is N,N-dimethylethanamine;(Z)-N,N-dimethylprop-1-en-1-amine;2-methylbutane;2-methylbut-2-ene;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane.

Molecular Properties

Compound NameN,N-dimethylethanamine;(Z)-N,N-dimethylprop-1-en-1-amine;2-methylbutane;2-methylbut-2-ene;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane
PubChem CID157119159
Molecular FormulaC47H104N2
Molecular Weight697.36 g/mol
Exact Mass696.82
IUPAC NameN,N-dimethylethanamine;(Z)-N,N-dimethylprop-1-en-1-amine;2-methylbutane;2-methylbut-2-ene;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane
SMILESC/C=C(/C)CC.C/C=C\C(C)C.C/C=C\N(C)C.CC(C)C.CC=C(C)C.CCC(C)C.CCC=C(C)C.CCCC(C)C.CCN(C)C
InChIInChI=1S/C6H14.3C6H12.C5H11N.C5H12.C5H10.C4H11N.C4H10/c3*1-4-5-6(2)3;1-4-6(3)5-2;1-4-5-6(2)3;3*1-4-5(2)3;1-4(2)3/h6H,4-5H2,1-3H3;5H,4H2,1-3H3;4-6H,1-3H3;4H,5H2,1-3H3;4-5H,1-3H3;5H,4H2,1-3H3;4H,1-3H3;4H2,1-3H3;4H,1-3H3/b;;5-4-;6-4-;5-4-;;;;
InChIKeyAHTIWFLMEDFCQQ-JPMKUZBGSA-N
XLogP16.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.36
LogP ≤ 516.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N,N-dimethylethanamine;(Z)-N,N-dimethylprop-1-en-1-amine;2-methylbutane;2-methylbut-2-ene;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethylethanamine;methoxyethane;tris(2-methylbutane);2-methylbut-2-ene
CID 159474446
2-methylbutane;bis(2-methylbut-2-ene)
CID 162288148
(E)-4-methylpent-2-ene;propane
CID 142019888
(Z)-3-methylpent-2-ene;(E)-3-methylpent-2-ene
CID 44630372
butane;ethane;3-methylpent-2-ene
CID 145294341
2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane
CID 170712386
(Z)-N,2,5-trimethyl-N-[(E)-pent-2-en-2-yl]oct-3-en-1-amine
CID 137457725
ethane;(2E,4Z)-3-methoxy-5-methylhepta-2,4-diene;2-methylpentane;N-methyl-N-propylpropan-1-amine
CID 143899958
ethane;(E)-3-methylpent-2-ene
CID 144523626
3-methylpent-2-ene;zirconium
CID 174393280
2-methylpentane
CID 7892
4-methylpent-2-ene
CID 12659

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylethanamine;(Z)-N,N-dimethylprop-1-en-1-amine;2-methylbutane;2-methylbut-2-ene;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane?
The IUPAC name of N,N-dimethylethanamine;(Z)-N,N-dimethylprop-1-en-1-amine;2-methylbutane;2-methylbut-2-ene;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane (CID 157119159) is N,N-dimethylethanamine;(Z)-N,N-dimethylprop-1-en-1-amine;2-methylbutane;2-methylbut-2-ene;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane.
What is the SMILES notation for N,N-dimethylethanamine;(Z)-N,N-dimethylprop-1-en-1-amine;2-methylbutane;2-methylbut-2-ene;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane?
The canonical SMILES for N,N-dimethylethanamine;(Z)-N,N-dimethylprop-1-en-1-amine;2-methylbutane;2-methylbut-2-ene;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane is C/C=C(/C)CC.C/C=C\C(C)C.C/C=C\N(C)C.CC(C)C.CC=C(C)C.CCC(C)C.CCC=C(C)C.CCCC(C)C.CCN(C)C.
What is the InChIKey of N,N-dimethylethanamine;(Z)-N,N-dimethylprop-1-en-1-amine;2-methylbutane;2-methylbut-2-ene;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane?
The InChIKey is AHTIWFLMEDFCQQ-JPMKUZBGSA-N. The full InChI is InChI=1S/C6H14.3C6H12.C5H11N.C5H12.C5H10.C4H11N.C4H10/c3*1-4-5-6(2)3;1-4-6(3)5-2;1-4-5-6(2)3;3*1-4-5(2)3;1-4(2)3/h6H,4-5H2,1-3H3;5H,4H2,1-3H3;4-6H,1-3H3;4H,5H2,1-3H3;4-5H,1-3H3;5H,4H2,1-3H3;4H,1-3H3;4H2,1-3H3;4H,1-3H3/b;;5-4-;6-4-;5-4-;;;;.
What are the key properties of N,N-dimethylethanamine;(Z)-N,N-dimethylprop-1-en-1-amine;2-methylbutane;2-methylbut-2-ene;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane?
N,N-dimethylethanamine;(Z)-N,N-dimethylprop-1-en-1-amine;2-methylbutane;2-methylbut-2-ene;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane has a molecular weight of 697.36 g/mol, XLogP of 16.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylethanamine;(Z)-N,N-dimethylprop-1-en-1-amine;2-methylbutane;2-methylbut-2-ene;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane is sourced from PubChem (CID 157119159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).