3,6,6-trimethyl-N-(2-methylpropyl)heptan-1-amine

C14H31N — CID 81019110

IUPAC3,6,6-trimethyl-N-(2-methylpropyl)heptan-1-amine
SMILESCC(C)CNCCC(C)CCC(C)(C)C
InChIInChI=1S/C14H31N/c1-12(2)11-15-10-8-13(3)7-9-14(4,5)6/h12-13,15H,7-11H2,1-6H3
InChIKeyOLOIJNHLDVXXEN-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.08
Rot. Bonds7

About 3,6,6-trimethyl-N-(2-methylpropyl)heptan-1-amine

3,6,6-trimethyl-N-(2-methylpropyl)heptan-1-amine (PubChem CID 81019110) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 3,6,6-trimethyl-N-(2-methylpropyl)heptan-1-amine.

Molecular Properties

Compound Name3,6,6-trimethyl-N-(2-methylpropyl)heptan-1-amine
PubChem CID81019110
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name3,6,6-trimethyl-N-(2-methylpropyl)heptan-1-amine
SMILESCC(C)CNCCC(C)CCC(C)(C)C
InChIInChI=1S/C14H31N/c1-12(2)11-15-10-8-13(3)7-9-14(4,5)6/h12-13,15H,7-11H2,1-6H3
InChIKeyOLOIJNHLDVXXEN-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,6,6-trimethyl-N-(2-methylpropyl)heptan-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

5,5-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 55071072
3-methyl-N-(2-methylpropyl)octan-1-amine
CID 81019689
3-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine
CID 116628142
2,5,5-trimethyl-N-propan-2-ylhexan-1-amine
CID 62530891
N-tert-butyl-2,5,5-trimethylhexan-1-amine
CID 62529296
methane;2,2,5,9,13-pentamethyltetradecane
CID 159071940
5,5-dimethyl-2-(2-methylpropyl)-N-propylhexan-1-amine
CID 63496033
N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 54452976
4-(3,3-dimethylbutylamino)-3-methylbutan-1-ol
CID 66092499
2,3,7,7-tetramethyl-N-(2-methylpropyl)octan-1-amine
CID 114210654
2,4,4-trimethyl-N-(2-methylpropyl)pentan-1-amine
CID 64665441
5-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 115485089

Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-N-(2-methylpropyl)heptan-1-amine?
The IUPAC name of 3,6,6-trimethyl-N-(2-methylpropyl)heptan-1-amine (CID 81019110) is 3,6,6-trimethyl-N-(2-methylpropyl)heptan-1-amine.
What is the SMILES notation for 3,6,6-trimethyl-N-(2-methylpropyl)heptan-1-amine?
The canonical SMILES for 3,6,6-trimethyl-N-(2-methylpropyl)heptan-1-amine is CC(C)CNCCC(C)CCC(C)(C)C.
What is the InChIKey of 3,6,6-trimethyl-N-(2-methylpropyl)heptan-1-amine?
The InChIKey is OLOIJNHLDVXXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-12(2)11-15-10-8-13(3)7-9-14(4,5)6/h12-13,15H,7-11H2,1-6H3.
What are the key properties of 3,6,6-trimethyl-N-(2-methylpropyl)heptan-1-amine?
3,6,6-trimethyl-N-(2-methylpropyl)heptan-1-amine has a molecular weight of 213.41 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-N-(2-methylpropyl)heptan-1-amine is sourced from PubChem (CID 81019110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).