N-methylhex-5-en-2-amine

C7H15N — CID 3051131

IUPACN-methylhex-5-en-2-amine
SMILESC=CCCC(C)NC
InChIInChI=1S/C7H15N/c1-4-5-6-7(2)8-3/h4,7-8H,1,5-6H2,2-3H3
InChIKeyVTHXHYHQTDXWRR-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.56
Rot. Bonds4

About N-methylhex-5-en-2-amine

N-methylhex-5-en-2-amine (PubChem CID 3051131) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is N-methylhex-5-en-2-amine.

Molecular Properties

Compound NameN-methylhex-5-en-2-amine
PubChem CID3051131
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC NameN-methylhex-5-en-2-amine
SMILESC=CCCC(C)NC
InChIInChI=1S/C7H15N/c1-4-5-6-7(2)8-3/h4,7-8H,1,5-6H2,2-3H3
InChIKeyVTHXHYHQTDXWRR-UHFFFAOYSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.56
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

5-Hexen-2-amine
CID 202050
(But-3-en-1-yl)(methyl)amine
CID 12717520
N-Methylhex-5-en-1-amine
CID 17825054
N-methylpent-4-en-1-amine
CID 541660
4-Hexenylamine, N,1-dimethyl-
CID 6435019
N-Methylhex-5-en-1-amine hydrochloride
CID 71413963
Hex-5-en-2-amine hydrochloride
CID 85972458
Methyl(pent-4-en-1-yl)amine hydrochloride
CID 132353840
2-Ethyltetrahydropyridine
CID 68154428
N-methylcyclopent-3-en-1-amine hydrochloride
CID 139291077
Allyl-(1-methyl-pent-4-enyl)-amine
CID 11788335
2-Propylamino-5-hexene
CID 12541939

Frequently Asked Questions

What is the IUPAC name of N-methylhex-5-en-2-amine?
The IUPAC name of N-methylhex-5-en-2-amine (CID 3051131) is N-methylhex-5-en-2-amine.
What is the SMILES notation for N-methylhex-5-en-2-amine?
The canonical SMILES for N-methylhex-5-en-2-amine is C=CCCC(C)NC.
What is the InChIKey of N-methylhex-5-en-2-amine?
The InChIKey is VTHXHYHQTDXWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-4-5-6-7(2)8-3/h4,7-8H,1,5-6H2,2-3H3.
What are the key properties of N-methylhex-5-en-2-amine?
N-methylhex-5-en-2-amine has a molecular weight of 113.20 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylhex-5-en-2-amine is sourced from PubChem (CID 3051131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).