N,N-bis(2-methyldecan-2-yl)dodecan-1-amine

C34H71N — CID 139723612

IUPACN,N-bis(2-methyldecan-2-yl)dodecan-1-amine
SMILESCCCCCCCCCCCCN(C(C)(C)CCCCCCCC)C(C)(C)CCCCCCCC
InChIInChI=1S/C34H71N/c1-8-11-14-17-20-21-22-23-26-29-32-35(33(4,5)30-27-24-18-15-12-9-2)34(6,7)31-28-25-19-16-13-10-3/h8-32H2,1-7H3
InChIKeyVJZLSJMMJYUPHF-UHFFFAOYSA-N
MW493.95 g/mol
LogP12.27
Rot. Bonds27

About N,N-bis(2-methyldecan-2-yl)dodecan-1-amine

N,N-bis(2-methyldecan-2-yl)dodecan-1-amine (PubChem CID 139723612) has the molecular formula C34H71N and a molecular weight of 493.95 g/mol. Its IUPAC name is N,N-bis(2-methyldecan-2-yl)dodecan-1-amine.

Molecular Properties

Compound NameN,N-bis(2-methyldecan-2-yl)dodecan-1-amine
PubChem CID139723612
Molecular FormulaC34H71N
Molecular Weight493.95 g/mol
Exact Mass493.56
IUPAC NameN,N-bis(2-methyldecan-2-yl)dodecan-1-amine
SMILESCCCCCCCCCCCCN(C(C)(C)CCCCCCCC)C(C)(C)CCCCCCCC
InChIInChI=1S/C34H71N/c1-8-11-14-17-20-21-22-23-26-29-32-35(33(4,5)30-27-24-18-15-12-9-2)34(6,7)31-28-25-19-16-13-10-3/h8-32H2,1-7H3
InChIKeyVJZLSJMMJYUPHF-UHFFFAOYSA-N
XLogP12.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.95
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-bis(2-methyldecan-2-yl)dodecan-1-amine 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

2-methyl-N-(2-methyltridecan-2-yl)-N-nonyltridecan-2-amine
CID 139723690
N,N-bis(2-methyldecan-2-yl)tridecan-1-amine
CID 139723232
N,N-bis(2-methyloctan-2-yl)pentadecan-1-amine
CID 139723897
2-methyl-N-(2-methylundecan-2-yl)-N-nonylundecan-2-amine
CID 139723201
N-hexyl-2-methyl-N-(2-methylheptadecan-2-yl)heptadecan-2-amine
CID 139723065
N,N-bis(2-methylnonan-2-yl)heptadecan-1-amine
CID 139724071
2-methyl-N-(2-methylpentadecan-2-yl)-N-pentadecylpentadecan-2-amine
CID 139723389
N-dodecyl-2-methyl-N-(2-methylhexadecan-2-yl)hexadecan-2-amine
CID 139723367
N-butyl-2-methyl-N-(2-methylpentadecan-2-yl)pentadecan-2-amine
CID 139722679
N-ethyl-2-methyl-N-(2-methyldodecan-2-yl)dodecan-2-amine
CID 139723254
N-ethyl-2-methyl-N-(2-methyloctan-2-yl)octan-2-amine
CID 139724053
2-methyl-N,N-dipentyltetradecan-2-amine
CID 139724044

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methyldecan-2-yl)dodecan-1-amine?
The IUPAC name of N,N-bis(2-methyldecan-2-yl)dodecan-1-amine (CID 139723612) is N,N-bis(2-methyldecan-2-yl)dodecan-1-amine.
What is the SMILES notation for N,N-bis(2-methyldecan-2-yl)dodecan-1-amine?
The canonical SMILES for N,N-bis(2-methyldecan-2-yl)dodecan-1-amine is CCCCCCCCCCCCN(C(C)(C)CCCCCCCC)C(C)(C)CCCCCCCC.
What is the InChIKey of N,N-bis(2-methyldecan-2-yl)dodecan-1-amine?
The InChIKey is VJZLSJMMJYUPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H71N/c1-8-11-14-17-20-21-22-23-26-29-32-35(33(4,5)30-27-24-18-15-12-9-2)34(6,7)31-28-25-19-16-13-10-3/h8-32H2,1-7H3.
What are the key properties of N,N-bis(2-methyldecan-2-yl)dodecan-1-amine?
N,N-bis(2-methyldecan-2-yl)dodecan-1-amine has a molecular weight of 493.95 g/mol, XLogP of 12.27, 27 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methyldecan-2-yl)dodecan-1-amine is sourced from PubChem (CID 139723612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).