N-(4,4-dimethylpent-1-en-2-yl)heptan-1-amine

C14H29N — CID 134483816

IUPACN-(4,4-dimethylpent-1-en-2-yl)heptan-1-amine
SMILESC=C(CC(C)(C)C)NCCCCCCC
InChIInChI=1S/C14H29N/c1-6-7-8-9-10-11-15-13(2)12-14(3,4)5/h15H,2,6-12H2,1,3-5H3
InChIKeyCSSOSMXQRMWWMU-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.50
Rot. Bonds8

About N-(4,4-dimethylpent-1-en-2-yl)heptan-1-amine

N-(4,4-dimethylpent-1-en-2-yl)heptan-1-amine (PubChem CID 134483816) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-(4,4-dimethylpent-1-en-2-yl)heptan-1-amine.

Molecular Properties

Compound NameN-(4,4-dimethylpent-1-en-2-yl)heptan-1-amine
PubChem CID134483816
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-(4,4-dimethylpent-1-en-2-yl)heptan-1-amine
SMILESC=C(CC(C)(C)C)NCCCCCCC
InChIInChI=1S/C14H29N/c1-6-7-8-9-10-11-15-13(2)12-14(3,4)5/h15H,2,6-12H2,1,3-5H3
InChIKeyCSSOSMXQRMWWMU-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4,4-dimethylpent-1-en-2-yl)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

N-hexyloct-1-en-2-amine
CID 169110016
3,3-dimethyl-N-tetradecylbutanamide
CID 156529855
N-but-1-en-2-ylpentan-1-amine;ethane
CID 177233508
N-butylhept-1-en-2-amine
CID 170620308
N-(4,4-dimethylpent-1-en-2-yl)-N'-[3-(1H-imidazol-3-ium-3-yl)prop-1-en-2-yl]octane-1,8-diamine
CID 176676731
3-N-heptadecyl-1-N,1-N-dipropylbut-3-ene-1,3-diamine
CID 167073154
N-hept-1-en-2-yl-6-methylheptan-1-amine
CID 155148528
(3R)-N-(4,4-dimethylpent-1-en-2-yl)octan-3-amine
CID 178036586
N-(3-methylbut-1-en-2-yl)hexan-1-amine
CID 129308708
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
1-(6,6-dimethylheptyl)-3-pentylurea
CID 143912834
2-(ethylamino)-2-methyl-N-octylpropanamide
CID 113337256

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpent-1-en-2-yl)heptan-1-amine?
The IUPAC name of N-(4,4-dimethylpent-1-en-2-yl)heptan-1-amine (CID 134483816) is N-(4,4-dimethylpent-1-en-2-yl)heptan-1-amine.
What is the SMILES notation for N-(4,4-dimethylpent-1-en-2-yl)heptan-1-amine?
The canonical SMILES for N-(4,4-dimethylpent-1-en-2-yl)heptan-1-amine is C=C(CC(C)(C)C)NCCCCCCC.
What is the InChIKey of N-(4,4-dimethylpent-1-en-2-yl)heptan-1-amine?
The InChIKey is CSSOSMXQRMWWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-6-7-8-9-10-11-15-13(2)12-14(3,4)5/h15H,2,6-12H2,1,3-5H3.
What are the key properties of N-(4,4-dimethylpent-1-en-2-yl)heptan-1-amine?
N-(4,4-dimethylpent-1-en-2-yl)heptan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpent-1-en-2-yl)heptan-1-amine is sourced from PubChem (CID 134483816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).