N-(2,2-dimethylbutyl)hept-6-en-1-amine

C13H27N — CID 107007207

IUPACN-(2,2-dimethylbutyl)hept-6-en-1-amine
SMILESC=CCCCCCNCC(C)(C)CC
InChIInChI=1S/C13H27N/c1-5-7-8-9-10-11-14-12-13(3,4)6-2/h5,14H,1,6-12H2,2-4H3
InChIKeyZVGPOKIKMMSVBR-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.76
Rot. Bonds9

About N-(2,2-dimethylbutyl)hept-6-en-1-amine

N-(2,2-dimethylbutyl)hept-6-en-1-amine (PubChem CID 107007207) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)hept-6-en-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)hept-6-en-1-amine
PubChem CID107007207
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-(2,2-dimethylbutyl)hept-6-en-1-amine
SMILESC=CCCCCCNCC(C)(C)CC
InChIInChI=1S/C13H27N/c1-5-7-8-9-10-11-14-12-13(3,4)6-2/h5,14H,1,6-12H2,2-4H3
InChIKeyZVGPOKIKMMSVBR-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.76
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 N-(2,2-dimethylbutyl)hept-6-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

2,2-dimethyl-N-pentylbutan-1-amine
CID 103698372
N-(2-methyl-2-methylsulfanylpropyl)hept-6-en-1-amine
CID 107007127
N-propylnon-8-en-1-amine
CID 107010151
N-(2-methyl-2-methylsulfonylpropyl)hept-6-en-1-amine
CID 107006950
N-pent-4-enyloctan-1-amine
CID 79006791
N-octadec-17-enyloctadec-9-en-1-amine
CID 123898051
6-(2,2-dimethylbutylamino)-2,2-dimethylhexanenitrile
CID 106709688
5-(2,2-dimethylbutylamino)pentanenitrile
CID 103699023
N'-hept-6-enylethane-1,2-diamine
CID 107006766
2,2-dimethyl-N-(3-methylsulfanylpropyl)butan-1-amine
CID 103699635
N-(2-methylprop-2-enyl)hept-6-en-1-amine
CID 107007189
1-N-(2,2-dimethylbutyl)hexane-1,5-diamine
CID 103462285

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)hept-6-en-1-amine?
The IUPAC name of N-(2,2-dimethylbutyl)hept-6-en-1-amine (CID 107007207) is N-(2,2-dimethylbutyl)hept-6-en-1-amine.
What is the SMILES notation for N-(2,2-dimethylbutyl)hept-6-en-1-amine?
The canonical SMILES for N-(2,2-dimethylbutyl)hept-6-en-1-amine is C=CCCCCCNCC(C)(C)CC.
What is the InChIKey of N-(2,2-dimethylbutyl)hept-6-en-1-amine?
The InChIKey is ZVGPOKIKMMSVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-7-8-9-10-11-14-12-13(3,4)6-2/h5,14H,1,6-12H2,2-4H3.
What are the key properties of N-(2,2-dimethylbutyl)hept-6-en-1-amine?
N-(2,2-dimethylbutyl)hept-6-en-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)hept-6-en-1-amine is sourced from PubChem (CID 107007207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).