2-methyl-N,N-dipropylhex-5-en-1-amine

C13H27N — CID 143366711

IUPAC2-methyl-N,N-dipropylhex-5-en-1-amine
SMILESC=CCCC(C)CN(CCC)CCC
InChIInChI=1S/C13H27N/c1-5-8-9-13(4)12-14(10-6-2)11-7-3/h5,13H,1,6-12H2,2-4H3
InChIKeyXGWTYSOCRFHGMI-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.71
Rot. Bonds9

About 2-methyl-N,N-dipropylhex-5-en-1-amine

2-methyl-N,N-dipropylhex-5-en-1-amine (PubChem CID 143366711) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2-methyl-N,N-dipropylhex-5-en-1-amine.

Molecular Properties

Compound Name2-methyl-N,N-dipropylhex-5-en-1-amine
PubChem CID143366711
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2-methyl-N,N-dipropylhex-5-en-1-amine
SMILESC=CCCC(C)CN(CCC)CCC
InChIInChI=1S/C13H27N/c1-5-8-9-13(4)12-14(10-6-2)11-7-3/h5,13H,1,6-12H2,2-4H3
InChIKeyXGWTYSOCRFHGMI-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butane;ethane;5-methylhept-1-ene
CID 143370195
ethane;4-methylocta-1,7-diene
CID 144616064
N',N',2-trimethyl-N,N-dipropylbutane-1,4-diamine
CID 23198614
4-(dipropylamino)-3-methylbutane-1-thiol
CID 23362434
2,5-dimethyl-7-propan-2-yl-N,N,6-tripropyldecan-1-amine
CID 123419359
3-methyl-N-(2-methylbutyl)-N-propylpentan-1-amine
CID 145192300
5-methylheptadec-1-ene
CID 172780073
5-methylicos-1-ene
CID 145462707
1-[but-3-enyl(propyl)amino]-3-methoxypropan-2-ol
CID 90250583
bis(buta-1,3-diene);5-methylhex-1-ene
CID 174724270
(5S)-6-iodo-5-methylhex-1-ene
CID 14470371
N'-(2-aminoethyl)-N'-(2-methylpentyl)ethane-1,2-diamine
CID 62923464

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,N-dipropylhex-5-en-1-amine?
The IUPAC name of 2-methyl-N,N-dipropylhex-5-en-1-amine (CID 143366711) is 2-methyl-N,N-dipropylhex-5-en-1-amine.
What is the SMILES notation for 2-methyl-N,N-dipropylhex-5-en-1-amine?
The canonical SMILES for 2-methyl-N,N-dipropylhex-5-en-1-amine is C=CCCC(C)CN(CCC)CCC.
What is the InChIKey of 2-methyl-N,N-dipropylhex-5-en-1-amine?
The InChIKey is XGWTYSOCRFHGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-8-9-13(4)12-14(10-6-2)11-7-3/h5,13H,1,6-12H2,2-4H3.
What are the key properties of 2-methyl-N,N-dipropylhex-5-en-1-amine?
2-methyl-N,N-dipropylhex-5-en-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.71, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-dipropylhex-5-en-1-amine is sourced from PubChem (CID 143366711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).