N-hexyloct-1-en-2-amine

C14H29N — CID 169110016

IUPACN-hexyloct-1-en-2-amine
SMILESC=C(CCCCCC)NCCCCCC
InChIInChI=1S/C14H29N/c1-4-6-8-10-12-14(3)15-13-11-9-7-5-2/h15H,3-13H2,1-2H3
InChIKeyLVYKHTYGOAXCPC-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.64
Rot. Bonds11

About N-hexyloct-1-en-2-amine

N-hexyloct-1-en-2-amine (PubChem CID 169110016) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-hexyloct-1-en-2-amine.

Molecular Properties

Compound NameN-hexyloct-1-en-2-amine
PubChem CID169110016
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-hexyloct-1-en-2-amine
SMILESC=C(CCCCCC)NCCCCCC
InChIInChI=1S/C14H29N/c1-4-6-8-10-12-14(3)15-13-11-9-7-5-2/h15H,3-13H2,1-2H3
InChIKeyLVYKHTYGOAXCPC-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.64
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

N-butylhept-1-en-2-amine
CID 170620308
N-hept-1-en-2-yl-6-methylheptan-1-amine
CID 155148528
N-pent-4-enylnonadec-1-en-2-amine
CID 129262643
N-(4-methylidenehexyl)hept-1-en-2-amine
CID 167138556
3-N-heptadecyl-1-N,1-N-dipropylbut-3-ene-1,3-diamine
CID 167073154
(3S)-7-(dec-1-en-2-ylamino)-3-methylheptan-2-one
CID 163498407
ethane;6-methyl-1-N-tetracont-1-en-2-ylhept-6-ene-1,5-diamine
CID 162689305
N-but-1-en-2-ylpentan-1-amine;ethane
CID 177233508
N-(4,4-dimethylpent-1-en-2-yl)heptan-1-amine
CID 134483816
N'-pent-1-en-2-yl-N-propylhexane-1,6-diamine
CID 134334707
N-methyloct-1-en-2-amine
CID 129196255
N,N'-didodecylheptanedithioamide
CID 23451988

Frequently Asked Questions

What is the IUPAC name of N-hexyloct-1-en-2-amine?
The IUPAC name of N-hexyloct-1-en-2-amine (CID 169110016) is N-hexyloct-1-en-2-amine.
What is the SMILES notation for N-hexyloct-1-en-2-amine?
The canonical SMILES for N-hexyloct-1-en-2-amine is C=C(CCCCCC)NCCCCCC.
What is the InChIKey of N-hexyloct-1-en-2-amine?
The InChIKey is LVYKHTYGOAXCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-4-6-8-10-12-14(3)15-13-11-9-7-5-2/h15H,3-13H2,1-2H3.
What are the key properties of N-hexyloct-1-en-2-amine?
N-hexyloct-1-en-2-amine has a molecular weight of 211.39 g/mol, XLogP of 4.64, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyloct-1-en-2-amine is sourced from PubChem (CID 169110016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).