N-hept-1-en-2-yl-6-methylheptan-1-amine

C15H31N — CID 155148528

IUPACN-hept-1-en-2-yl-6-methylheptan-1-amine
SMILESC=C(CCCCC)NCCCCCC(C)C
InChIInChI=1S/C15H31N/c1-5-6-8-12-15(4)16-13-10-7-9-11-14(2)3/h14,16H,4-13H2,1-3H3
InChIKeyLLYLBJMFISTKAO-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.89
Rot. Bonds11

About N-hept-1-en-2-yl-6-methylheptan-1-amine

N-hept-1-en-2-yl-6-methylheptan-1-amine (PubChem CID 155148528) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-hept-1-en-2-yl-6-methylheptan-1-amine.

Molecular Properties

Compound NameN-hept-1-en-2-yl-6-methylheptan-1-amine
PubChem CID155148528
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-hept-1-en-2-yl-6-methylheptan-1-amine
SMILESC=C(CCCCC)NCCCCCC(C)C
InChIInChI=1S/C15H31N/c1-5-6-8-12-15(4)16-13-10-7-9-11-14(2)3/h14,16H,4-13H2,1-3H3
InChIKeyLLYLBJMFISTKAO-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

14-methyl-N-(4-methylpentyl)pentadec-1-en-2-amine
CID 170250998
N-hexyloct-1-en-2-amine
CID 169110016
8-methyl-N-(5-methylhex-1-en-2-yl)nonan-1-amine
CID 167085291
(3S)-7-(dec-1-en-2-ylamino)-3-methylheptan-2-one
CID 163498407
N-butylhept-1-en-2-amine
CID 170620308
ethane;6-methyl-1-N-tetracont-1-en-2-ylhept-6-ene-1,5-diamine
CID 162689305
5-methyl-N-(4-methylpent-1-en-2-yl)hexan-1-amine
CID 139520172
N-hexyl-6-methylheptanamide
CID 141197249
N-(7-methyloctyl)-4-oxododecanamide
CID 165096838
N-butyl-7-methyloctanamide
CID 154028337
N-pent-4-enylnonadec-1-en-2-amine
CID 129262643
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107

Frequently Asked Questions

What is the IUPAC name of N-hept-1-en-2-yl-6-methylheptan-1-amine?
The IUPAC name of N-hept-1-en-2-yl-6-methylheptan-1-amine (CID 155148528) is N-hept-1-en-2-yl-6-methylheptan-1-amine.
What is the SMILES notation for N-hept-1-en-2-yl-6-methylheptan-1-amine?
The canonical SMILES for N-hept-1-en-2-yl-6-methylheptan-1-amine is C=C(CCCCC)NCCCCCC(C)C.
What is the InChIKey of N-hept-1-en-2-yl-6-methylheptan-1-amine?
The InChIKey is LLYLBJMFISTKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-5-6-8-12-15(4)16-13-10-7-9-11-14(2)3/h14,16H,4-13H2,1-3H3.
What are the key properties of N-hept-1-en-2-yl-6-methylheptan-1-amine?
N-hept-1-en-2-yl-6-methylheptan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.89, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-1-en-2-yl-6-methylheptan-1-amine is sourced from PubChem (CID 155148528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).