N-hexyl-2-propylhex-5-en-1-amine

C15H31N — CID 139309941

IUPACN-hexyl-2-propylhex-5-en-1-amine
SMILESC=CCCC(CCC)CNCCCCCC
InChIInChI=1S/C15H31N/c1-4-7-9-10-13-16-14-15(11-6-3)12-8-5-2/h5,15-16H,2,4,6-14H2,1,3H3
InChIKeyQMEAJORVWWKINT-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.54
Rot. Bonds12

About N-hexyl-2-propylhex-5-en-1-amine

N-hexyl-2-propylhex-5-en-1-amine (PubChem CID 139309941) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-hexyl-2-propylhex-5-en-1-amine.

Molecular Properties

Compound NameN-hexyl-2-propylhex-5-en-1-amine
PubChem CID139309941
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-hexyl-2-propylhex-5-en-1-amine
SMILESC=CCCC(CCC)CNCCCCCC
InChIInChI=1S/C15H31N/c1-4-7-9-10-13-16-14-15(11-6-3)12-8-5-2/h5,15-16H,2,4,6-14H2,1,3H3
InChIKeyQMEAJORVWWKINT-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.54
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'}

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Related Compounds

3-[(hept-6-enylamino)methyl]hexan-1-ol
CID 106115194
N,2-dipropyloctan-1-amine
CID 63497286
N-pent-4-enyloctan-1-amine
CID 79006791
3-(2-tetradecyloctadecylamino)propanal
CID 54068246
N-prop-2-enyltridecan-1-amine
CID 22467882
N-octadec-17-enyloctadec-9-en-1-amine
CID 123898051
N-(4,4-dimethoxybutyl)-2-propyloctan-1-amine
CID 146606613
N,2-dipropylpentan-1-amine
CID 62530512
2-ethyl-N-pentylhexan-1-amine
CID 43081963
N-ethyl-2-propylnonan-1-amine
CID 63498677
N-[(2S)-2-ethylbut-3-enyl]nonan-1-amine
CID 11031535
1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol
CID 21332395

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-propylhex-5-en-1-amine?
The IUPAC name of N-hexyl-2-propylhex-5-en-1-amine (CID 139309941) is N-hexyl-2-propylhex-5-en-1-amine.
What is the SMILES notation for N-hexyl-2-propylhex-5-en-1-amine?
The canonical SMILES for N-hexyl-2-propylhex-5-en-1-amine is C=CCCC(CCC)CNCCCCCC.
What is the InChIKey of N-hexyl-2-propylhex-5-en-1-amine?
The InChIKey is QMEAJORVWWKINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-4-7-9-10-13-16-14-15(11-6-3)12-8-5-2/h5,15-16H,2,4,6-14H2,1,3H3.
What are the key properties of N-hexyl-2-propylhex-5-en-1-amine?
N-hexyl-2-propylhex-5-en-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.54, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-propylhex-5-en-1-amine is sourced from PubChem (CID 139309941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).