N-methyloct-5-en-2-amine

C9H19N — CID 123529994

IUPACN-methyloct-5-en-2-amine
SMILESCCC=CCCC(C)NC
InChIInChI=1S/C9H19N/c1-4-5-6-7-8-9(2)10-3/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyWXTDXEVAWJHSQU-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.34
Rot. Bonds5

About N-methyloct-5-en-2-amine

N-methyloct-5-en-2-amine (PubChem CID 123529994) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-methyloct-5-en-2-amine.

Molecular Properties

Compound NameN-methyloct-5-en-2-amine
PubChem CID123529994
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN-methyloct-5-en-2-amine
SMILESCCC=CCCC(C)NC
InChIInChI=1S/C9H19N/c1-4-5-6-7-8-9(2)10-3/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyWXTDXEVAWJHSQU-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.34
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

Isometheptene
CID 22297
Isometheptene Hydrochloride
CID 22549
Dexisometheptene
CID 24871315
(2S,6S)-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridinium
CID 16193239
4-Pentenylamine, N,1-dimethyl-
CID 3051131
2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
Isometheptene-mucate
CID 6604597
1-(Cyclohexa-1,4-dien-1-yl)-N-methylpropan-2-amine
CID 57487843
(2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2063692
6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
4-Hexenylamine, N,1,2,5-tetramethyl-
CID 49627
4-Hexenylamine, N,1-dimethyl-
CID 6435019

Frequently Asked Questions

What is the IUPAC name of N-methyloct-5-en-2-amine?
The IUPAC name of N-methyloct-5-en-2-amine (CID 123529994) is N-methyloct-5-en-2-amine.
What is the SMILES notation for N-methyloct-5-en-2-amine?
The canonical SMILES for N-methyloct-5-en-2-amine is CCC=CCCC(C)NC.
What is the InChIKey of N-methyloct-5-en-2-amine?
The InChIKey is WXTDXEVAWJHSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-4-5-6-7-8-9(2)10-3/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of N-methyloct-5-en-2-amine?
N-methyloct-5-en-2-amine has a molecular weight of 141.26 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyloct-5-en-2-amine is sourced from PubChem (CID 123529994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).