(E)-N-(2,4,4-trimethylpentan-2-yl)undec-2-en-1-amine

C19H39N — CID 146018475

IUPAC(E)-N-(2,4,4-trimethylpentan-2-yl)undec-2-en-1-amine
SMILESCCCCCCCC/C=C/CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C19H39N/c1-7-8-9-10-11-12-13-14-15-16-20-19(5,6)17-18(2,3)4/h14-15,20H,7-13,16-17H2,1-6H3/b15-14+
InChIKeyGBGRBSFRNDUBLY-CCEZHUSRSA-N
MW281.53 g/mol
LogP6.10
Rot. Bonds11

About (E)-N-(2,4,4-trimethylpentan-2-yl)undec-2-en-1-amine

(E)-N-(2,4,4-trimethylpentan-2-yl)undec-2-en-1-amine (PubChem CID 146018475) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is (E)-N-(2,4,4-trimethylpentan-2-yl)undec-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2,4,4-trimethylpentan-2-yl)undec-2-en-1-amine
PubChem CID146018475
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name(E)-N-(2,4,4-trimethylpentan-2-yl)undec-2-en-1-amine
SMILESCCCCCCCC/C=C/CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C19H39N/c1-7-8-9-10-11-12-13-14-15-16-20-19(5,6)17-18(2,3)4/h14-15,20H,7-13,16-17H2,1-6H3/b15-14+
InChIKeyGBGRBSFRNDUBLY-CCEZHUSRSA-N
XLogP6.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-(2,4,4-trimethylpentan-2-yl)undec-2-en-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

N'-tert-butyloctadec-9-ene-1,18-diamine
CID 123603296
N-(5,5-dimethyl-2-hexenyl)-1,1,3,3-tetramethylbutylamine
CID 129658205
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-(1,1,3,3-tetramethylbutyl)ethane-1,2-diamine
CID 16076552
N-(2,7-Dimethyl-1,7-octadien-3-yl)-2,7-dimethyl-2,7-octadien-1-amine
CID 5366167
6-butyl-6-methyl-2,3-dihydro-1H-pyridine
CID 11974287
N-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine;hydrochloride
CID 19787481
N-tert-butyl-4,4-dimethylcyclopent-2-en-1-amine
CID 19787482
(E)-2-methyl-N-propyltetradec-11-en-2-amine
CID 19893541
N-[(E)-2-methylhex-3-en-2-yl]nonan-1-amine
CID 19893543
(E)-N-ethyl-2-methylhexadec-9-en-2-amine
CID 19893553
N-[(E)-2-methylhept-3-en-2-yl]decan-1-amine
CID 19893643
(E)-N-ethyl-2-methyltetradec-7-en-2-amine
CID 19893741

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,4,4-trimethylpentan-2-yl)undec-2-en-1-amine?
The IUPAC name of (E)-N-(2,4,4-trimethylpentan-2-yl)undec-2-en-1-amine (CID 146018475) is (E)-N-(2,4,4-trimethylpentan-2-yl)undec-2-en-1-amine.
What is the SMILES notation for (E)-N-(2,4,4-trimethylpentan-2-yl)undec-2-en-1-amine?
The canonical SMILES for (E)-N-(2,4,4-trimethylpentan-2-yl)undec-2-en-1-amine is CCCCCCCC/C=C/CNC(C)(C)CC(C)(C)C.
What is the InChIKey of (E)-N-(2,4,4-trimethylpentan-2-yl)undec-2-en-1-amine?
The InChIKey is GBGRBSFRNDUBLY-CCEZHUSRSA-N. The full InChI is InChI=1S/C19H39N/c1-7-8-9-10-11-12-13-14-15-16-20-19(5,6)17-18(2,3)4/h14-15,20H,7-13,16-17H2,1-6H3/b15-14+.
What are the key properties of (E)-N-(2,4,4-trimethylpentan-2-yl)undec-2-en-1-amine?
(E)-N-(2,4,4-trimethylpentan-2-yl)undec-2-en-1-amine has a molecular weight of 281.53 g/mol, XLogP of 6.10, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,4,4-trimethylpentan-2-yl)undec-2-en-1-amine is sourced from PubChem (CID 146018475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).