N,N-dimethylethanamine;N,N-dimethylpropan-1-amine;ethylidene(dimethyl)azanium;methane;2-methylbutane;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane

C47H110N3+ — CID 159044079

IUPACN,N-dimethylethanamine;N,N-dimethylpropan-1-amine;ethylidene(dimethyl)azanium;methane;2-methylbutane;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane
SMILESC.C/C=C(/C)CC.C/C=C\C(C)C.CC(C)C.CC=[N+](C)C.CCC(C)C.CCC=C(C)C.CCCC(C)C.CCCN(C)C.CCN(C)C
InChIInChI=1S/C6H14.3C6H12.C5H13N.C5H12.C4H11N.C4H10N.C4H10.CH4/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;4-5H2,1-3H3;5H,4H2,1-3H3;4H2,1-3H3;4H,1-3H3;4H,1-3H3;1H4/q;;;;;;;+1;;/b;;5-4-;6-4-;;;;;;
InChIKeyFWFSEPRVDSBKRO-RVVSNRPXSA-N
MW717.42 g/mol
LogP15.61
Rot. Bonds9

About N,N-dimethylethanamine;N,N-dimethylpropan-1-amine;ethylidene(dimethyl)azanium;methane;2-methylbutane;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane

N,N-dimethylethanamine;N,N-dimethylpropan-1-amine;ethylidene(dimethyl)azanium;methane;2-methylbutane;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane (PubChem CID 159044079) has the molecular formula C47H110N3+ and a molecular weight of 717.42 g/mol. Its IUPAC name is N,N-dimethylethanamine;N,N-dimethylpropan-1-amine;ethylidene(dimethyl)azanium;methane;2-methylbutane;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane.

Molecular Properties

Compound NameN,N-dimethylethanamine;N,N-dimethylpropan-1-amine;ethylidene(dimethyl)azanium;methane;2-methylbutane;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane
PubChem CID159044079
Molecular FormulaC47H110N3+
Molecular Weight717.42 g/mol
Exact Mass716.87
IUPAC NameN,N-dimethylethanamine;N,N-dimethylpropan-1-amine;ethylidene(dimethyl)azanium;methane;2-methylbutane;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane
SMILESC.C/C=C(/C)CC.C/C=C\C(C)C.CC(C)C.CC=[N+](C)C.CCC(C)C.CCC=C(C)C.CCCC(C)C.CCCN(C)C.CCN(C)C
InChIInChI=1S/C6H14.3C6H12.C5H13N.C5H12.C4H11N.C4H10N.C4H10.CH4/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;4-5H2,1-3H3;5H,4H2,1-3H3;4H2,1-3H3;4H,1-3H3;4H,1-3H3;1H4/q;;;;;;;+1;;/b;;5-4-;6-4-;;;;;;
InChIKeyFWFSEPRVDSBKRO-RVVSNRPXSA-N
XLogP15.61
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.42
LogP ≤ 515.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N,N-dimethylethanamine;N,N-dimethylpropan-1-amine;ethylidene(dimethyl)azanium;methane;2-methylbutane;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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylethanamine;N,N-dimethylpropan-1-amine;ethylidene(dimethyl)azanium;methane;2-methylbutane;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;N,N-dimethylpropan-1-amine;ethylidene(dimethyl)azanium;methane;2-methylbutane;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane (CID 159044079) is N,N-dimethylethanamine;N,N-dimethylpropan-1-amine;ethylidene(dimethyl)azanium;methane;2-methylbutane;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;N,N-dimethylpropan-1-amine;ethylidene(dimethyl)azanium;methane;2-methylbutane;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;N,N-dimethylpropan-1-amine;ethylidene(dimethyl)azanium;methane;2-methylbutane;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane is C.C/C=C(/C)CC.C/C=C\C(C)C.CC(C)C.CC=[N+](C)C.CCC(C)C.CCC=C(C)C.CCCC(C)C.CCCN(C)C.CCN(C)C.
What is the InChIKey of N,N-dimethylethanamine;N,N-dimethylpropan-1-amine;ethylidene(dimethyl)azanium;methane;2-methylbutane;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane?
The InChIKey is FWFSEPRVDSBKRO-RVVSNRPXSA-N. The full InChI is InChI=1S/C6H14.3C6H12.C5H13N.C5H12.C4H11N.C4H10N.C4H10.CH4/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;4-5H2,1-3H3;5H,4H2,1-3H3;4H2,1-3H3;4H,1-3H3;4H,1-3H3;1H4/q;;;;;;;+1;;/b;;5-4-;6-4-;;;;;;.
What are the key properties of N,N-dimethylethanamine;N,N-dimethylpropan-1-amine;ethylidene(dimethyl)azanium;methane;2-methylbutane;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane?
N,N-dimethylethanamine;N,N-dimethylpropan-1-amine;ethylidene(dimethyl)azanium;methane;2-methylbutane;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane has a molecular weight of 717.42 g/mol, XLogP of 15.61, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylethanamine;N,N-dimethylpropan-1-amine;ethylidene(dimethyl)azanium;methane;2-methylbutane;2-methylpentane;2-methylpent-2-ene;(Z)-3-methylpent-2-ene;(Z)-4-methylpent-2-ene;2-methylpropane is sourced from PubChem (CID 159044079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).