N,N-dimethylmethanamine;2-methylbutane;2-methylpentane;2-methylpropane;2-methylprop-1-ene

C22H53N — CID 158301840

IUPACN,N-dimethylmethanamine;2-methylbutane;2-methylpentane;2-methylpropane;2-methylprop-1-ene
SMILESC=C(C)C.CC(C)C.CCC(C)C.CCCC(C)C.CN(C)C
InChIInChI=1S/C6H14.C5H12.C4H10.C4H8.C3H9N/c1-4-5-6(2)3;1-4-5(2)3;3*1-4(2)3/h6H,4-5H2,1-3H3;5H,4H2,1-3H3;4H,1-3H3;1H2,2-3H3;1-3H3
InChIKeyGMOYDQOICHJHGR-UHFFFAOYSA-N
MW331.67 g/mol
LogP7.92
Rot. Bonds3

About N,N-dimethylmethanamine;2-methylbutane;2-methylpentane;2-methylpropane;2-methylprop-1-ene

N,N-dimethylmethanamine;2-methylbutane;2-methylpentane;2-methylpropane;2-methylprop-1-ene (PubChem CID 158301840) has the molecular formula C22H53N and a molecular weight of 331.67 g/mol. Its IUPAC name is N,N-dimethylmethanamine;2-methylbutane;2-methylpentane;2-methylpropane;2-methylprop-1-ene.

Molecular Properties

Compound NameN,N-dimethylmethanamine;2-methylbutane;2-methylpentane;2-methylpropane;2-methylprop-1-ene
PubChem CID158301840
Molecular FormulaC22H53N
Molecular Weight331.67 g/mol
Exact Mass331.42
IUPAC NameN,N-dimethylmethanamine;2-methylbutane;2-methylpentane;2-methylpropane;2-methylprop-1-ene
SMILESC=C(C)C.CC(C)C.CCC(C)C.CCCC(C)C.CN(C)C
InChIInChI=1S/C6H14.C5H12.C4H10.C4H8.C3H9N/c1-4-5-6(2)3;1-4-5(2)3;3*1-4(2)3/h6H,4-5H2,1-3H3;5H,4H2,1-3H3;4H,1-3H3;1H2,2-3H3;1-3H3
InChIKeyGMOYDQOICHJHGR-UHFFFAOYSA-N
XLogP7.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.67
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;2-methylbutane;2-methylpentane;2-methylpropane;2-methylprop-1-ene?
The IUPAC name of N,N-dimethylmethanamine;2-methylbutane;2-methylpentane;2-methylpropane;2-methylprop-1-ene (CID 158301840) is N,N-dimethylmethanamine;2-methylbutane;2-methylpentane;2-methylpropane;2-methylprop-1-ene.
What is the SMILES notation for N,N-dimethylmethanamine;2-methylbutane;2-methylpentane;2-methylpropane;2-methylprop-1-ene?
The canonical SMILES for N,N-dimethylmethanamine;2-methylbutane;2-methylpentane;2-methylpropane;2-methylprop-1-ene is C=C(C)C.CC(C)C.CCC(C)C.CCCC(C)C.CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;2-methylbutane;2-methylpentane;2-methylpropane;2-methylprop-1-ene?
The InChIKey is GMOYDQOICHJHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C5H12.C4H10.C4H8.C3H9N/c1-4-5-6(2)3;1-4-5(2)3;3*1-4(2)3/h6H,4-5H2,1-3H3;5H,4H2,1-3H3;4H,1-3H3;1H2,2-3H3;1-3H3.
What are the key properties of N,N-dimethylmethanamine;2-methylbutane;2-methylpentane;2-methylpropane;2-methylprop-1-ene?
N,N-dimethylmethanamine;2-methylbutane;2-methylpentane;2-methylpropane;2-methylprop-1-ene has a molecular weight of 331.67 g/mol, XLogP of 7.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;2-methylbutane;2-methylpentane;2-methylpropane;2-methylprop-1-ene is sourced from PubChem (CID 158301840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).