7-methyl-N-(3,3,5-trimethylheptan-2-yl)tridecan-7-amine

C24H51N — CID 134218296

IUPAC7-methyl-N-(3,3,5-trimethylheptan-2-yl)tridecan-7-amine
SMILESCCCCCCC(C)(CCCCCC)NC(C)C(C)(C)CC(C)CC
InChIInChI=1S/C24H51N/c1-9-12-14-16-18-24(8,19-17-15-13-10-2)25-22(5)23(6,7)20-21(4)11-3/h21-22,25H,9-20H2,1-8H3
InChIKeyRXSAPMXHSSOXCS-UHFFFAOYSA-N
MW353.68 g/mol
LogP8.13
Rot. Bonds16

About 7-methyl-N-(3,3,5-trimethylheptan-2-yl)tridecan-7-amine

7-methyl-N-(3,3,5-trimethylheptan-2-yl)tridecan-7-amine (PubChem CID 134218296) has the molecular formula C24H51N and a molecular weight of 353.68 g/mol. Its IUPAC name is 7-methyl-N-(3,3,5-trimethylheptan-2-yl)tridecan-7-amine.

Molecular Properties

Compound Name7-methyl-N-(3,3,5-trimethylheptan-2-yl)tridecan-7-amine
PubChem CID134218296
Molecular FormulaC24H51N
Molecular Weight353.68 g/mol
Exact Mass353.40
IUPAC Name7-methyl-N-(3,3,5-trimethylheptan-2-yl)tridecan-7-amine
SMILESCCCCCCC(C)(CCCCCC)NC(C)C(C)(C)CC(C)CC
InChIInChI=1S/C24H51N/c1-9-12-14-16-18-24(8,19-17-15-13-10-2)25-22(5)23(6,7)20-21(4)11-3/h21-22,25H,9-20H2,1-8H3
InChIKeyRXSAPMXHSSOXCS-UHFFFAOYSA-N
XLogP8.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.68
LogP ≤ 58.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-methyl-N-(3,3,5-trimethylheptan-2-yl)tridecan-7-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-[(2S)-butan-2-yl]-7-methyltetradecan-7-amine
CID 134402382
2,11-dimethyl-11-(2-methylbutyl)octadecane
CID 90943555
N-(1-methoxypropan-2-yl)-7-methyltridecan-7-amine
CID 130426441
2-methyl-2-N-propan-2-yloctane-1,2-diamine
CID 62066797
3,3-dimethyl-N-propan-2-ylnonan-2-amine
CID 155353208
3,7,7-trimethyltridecane
CID 123996242
2,3,3-trimethyloctadecane
CID 90966938
N-(6-methylundecan-6-yl)cyclopentanamine
CID 134356805
N-ethyl-7-methyltetradecan-7-amine
CID 593697
8-methylpentadecan-8-ylhydrazine
CID 130446175
6-methyltridecan-6-ylhydrazine
CID 139378233
N-(4-methyldecan-4-yl)cyclohexanamine
CID 139320113

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(3,3,5-trimethylheptan-2-yl)tridecan-7-amine?
The IUPAC name of 7-methyl-N-(3,3,5-trimethylheptan-2-yl)tridecan-7-amine (CID 134218296) is 7-methyl-N-(3,3,5-trimethylheptan-2-yl)tridecan-7-amine.
What is the SMILES notation for 7-methyl-N-(3,3,5-trimethylheptan-2-yl)tridecan-7-amine?
The canonical SMILES for 7-methyl-N-(3,3,5-trimethylheptan-2-yl)tridecan-7-amine is CCCCCCC(C)(CCCCCC)NC(C)C(C)(C)CC(C)CC.
What is the InChIKey of 7-methyl-N-(3,3,5-trimethylheptan-2-yl)tridecan-7-amine?
The InChIKey is RXSAPMXHSSOXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N/c1-9-12-14-16-18-24(8,19-17-15-13-10-2)25-22(5)23(6,7)20-21(4)11-3/h21-22,25H,9-20H2,1-8H3.
What are the key properties of 7-methyl-N-(3,3,5-trimethylheptan-2-yl)tridecan-7-amine?
7-methyl-N-(3,3,5-trimethylheptan-2-yl)tridecan-7-amine has a molecular weight of 353.68 g/mol, XLogP of 8.13, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(3,3,5-trimethylheptan-2-yl)tridecan-7-amine is sourced from PubChem (CID 134218296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).