N'-dodecyl-N,N-diethyl-N'-(2-methyldodecyl)methanediamine

C30H64N2 — CID 171517809

IUPACN'-dodecyl-N,N-diethyl-N'-(2-methyldodecyl)methanediamine
SMILESCCCCCCCCCCCCN(CC(C)CCCCCCCCCC)CN(CC)CC
InChIInChI=1S/C30H64N2/c1-6-10-12-14-16-18-19-21-23-25-27-32(29-31(8-3)9-4)28-30(5)26-24-22-20-17-15-13-11-7-2/h30H,6-29H2,1-5H3
InChIKeyCJEANNDXYOCZEQ-UHFFFAOYSA-N
MW452.86 g/mol
LogP9.68
Rot. Bonds26

About N'-dodecyl-N,N-diethyl-N'-(2-methyldodecyl)methanediamine

N'-dodecyl-N,N-diethyl-N'-(2-methyldodecyl)methanediamine (PubChem CID 171517809) has the molecular formula C30H64N2 and a molecular weight of 452.86 g/mol. Its IUPAC name is N'-dodecyl-N,N-diethyl-N'-(2-methyldodecyl)methanediamine.

Molecular Properties

Compound NameN'-dodecyl-N,N-diethyl-N'-(2-methyldodecyl)methanediamine
PubChem CID171517809
Molecular FormulaC30H64N2
Molecular Weight452.86 g/mol
Exact Mass452.51
IUPAC NameN'-dodecyl-N,N-diethyl-N'-(2-methyldodecyl)methanediamine
SMILESCCCCCCCCCCCCN(CC(C)CCCCCCCCCC)CN(CC)CC
InChIInChI=1S/C30H64N2/c1-6-10-12-14-16-18-19-21-23-25-27-32(29-31(8-3)9-4)28-30(5)26-24-22-20-17-15-13-11-7-2/h30H,6-29H2,1-5H3
InChIKeyCJEANNDXYOCZEQ-UHFFFAOYSA-N
XLogP9.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.86
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N'-dodecyl-N,N-diethyl-N'-(2-methyldodecyl)methanediamine 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

(2R)-N,N-diethyl-2-methylhexan-1-amine
CID 129390347
N-(12-methyltridecyl)-N-octadecyloctadecan-1-amine
CID 139723792
N,N-bis(10-methylundecyl)hexadecan-1-amine
CID 139723319
N,N-dihexyl-12-methyltridecan-1-amine
CID 139723652
11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine
CID 139722518
N,N-didodecyl-16-methylheptadecan-1-amine
CID 139723359
N,N-bis(12-methyltridecyl)heptadecan-1-amine
CID 139722647
N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine
CID 139723142
15-methyl-N,N-di(pentadecyl)hexadecan-1-amine
CID 139722859
N-(9-methyldecyl)-N-octadecyloctadecan-1-amine
CID 139722861
N-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine
CID 139723116
13-methyl-N-(13-methyltetradecyl)-N-octyltetradecan-1-amine
CID 139723246

Frequently Asked Questions

What is the IUPAC name of N'-dodecyl-N,N-diethyl-N'-(2-methyldodecyl)methanediamine?
The IUPAC name of N'-dodecyl-N,N-diethyl-N'-(2-methyldodecyl)methanediamine (CID 171517809) is N'-dodecyl-N,N-diethyl-N'-(2-methyldodecyl)methanediamine.
What is the SMILES notation for N'-dodecyl-N,N-diethyl-N'-(2-methyldodecyl)methanediamine?
The canonical SMILES for N'-dodecyl-N,N-diethyl-N'-(2-methyldodecyl)methanediamine is CCCCCCCCCCCCN(CC(C)CCCCCCCCCC)CN(CC)CC.
What is the InChIKey of N'-dodecyl-N,N-diethyl-N'-(2-methyldodecyl)methanediamine?
The InChIKey is CJEANNDXYOCZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H64N2/c1-6-10-12-14-16-18-19-21-23-25-27-32(29-31(8-3)9-4)28-30(5)26-24-22-20-17-15-13-11-7-2/h30H,6-29H2,1-5H3.
What are the key properties of N'-dodecyl-N,N-diethyl-N'-(2-methyldodecyl)methanediamine?
N'-dodecyl-N,N-diethyl-N'-(2-methyldodecyl)methanediamine has a molecular weight of 452.86 g/mol, XLogP of 9.68, 26 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-dodecyl-N,N-diethyl-N'-(2-methyldodecyl)methanediamine is sourced from PubChem (CID 171517809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).