2-methyl-N-propyloct-5-en-3-amine

C12H25N — CID 170847792

IUPAC2-methyl-N-propyloct-5-en-3-amine
SMILESCCC=CCC(NCCC)C(C)C
InChIInChI=1S/C12H25N/c1-5-7-8-9-12(11(3)4)13-10-6-2/h7-8,11-13H,5-6,9-10H2,1-4H3
InChIKeyRBVYGQGMTAPHLC-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.37
Rot. Bonds7

About 2-methyl-N-propyloct-5-en-3-amine

2-methyl-N-propyloct-5-en-3-amine (PubChem CID 170847792) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2-methyl-N-propyloct-5-en-3-amine.

Molecular Properties

Compound Name2-methyl-N-propyloct-5-en-3-amine
PubChem CID170847792
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2-methyl-N-propyloct-5-en-3-amine
SMILESCCC=CCC(NCCC)C(C)C
InChIInChI=1S/C12H25N/c1-5-7-8-9-12(11(3)4)13-10-6-2/h7-8,11-13H,5-6,9-10H2,1-4H3
InChIKeyRBVYGQGMTAPHLC-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
4-Hexenylamine, N,1,2,5-tetramethyl-
CID 49627
Ethylamine, N-allyl-2-(2-cyclopentenyl)-1-methyl-
CID 49661
Ethylamine, 2-(2-cyclopentenyl)-N,1-dimethyl-
CID 49662
4-Hexenylamine, N,1-dimethyl-
CID 6435019
N,2,6-trimethylhept-5-en-1-amine
CID 146817482
6-Methyl-2-propylamino-5-heptene
CID 12541942
(5Z)-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine
CID 55286801
6-methyl-N-prop-2-enylhept-1-en-4-amine
CID 134859993
4-Dihydro-2,4-dihydro-2,4,6-tri-methylpyridine
CID 21326805
(E)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine
CID 88588160
(Z)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine
CID 88588161

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyloct-5-en-3-amine?
The IUPAC name of 2-methyl-N-propyloct-5-en-3-amine (CID 170847792) is 2-methyl-N-propyloct-5-en-3-amine.
What is the SMILES notation for 2-methyl-N-propyloct-5-en-3-amine?
The canonical SMILES for 2-methyl-N-propyloct-5-en-3-amine is CCC=CCC(NCCC)C(C)C.
What is the InChIKey of 2-methyl-N-propyloct-5-en-3-amine?
The InChIKey is RBVYGQGMTAPHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-7-8-9-12(11(3)4)13-10-6-2/h7-8,11-13H,5-6,9-10H2,1-4H3.
What are the key properties of 2-methyl-N-propyloct-5-en-3-amine?
2-methyl-N-propyloct-5-en-3-amine has a molecular weight of 183.34 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyloct-5-en-3-amine is sourced from PubChem (CID 170847792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).