N-methylhex-2-en-1-amine

C7H15N — CID 85238647

IUPACN-methylhex-2-en-1-amine
SMILESCCCC=CCNC
InChIInChI=1S/C7H15N/c1-3-4-5-6-7-8-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyACZVDLNGAPRJPR-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.56
Rot. Bonds4

About N-methylhex-2-en-1-amine

N-methylhex-2-en-1-amine (PubChem CID 85238647) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is N-methylhex-2-en-1-amine.

Molecular Properties

Compound NameN-methylhex-2-en-1-amine
PubChem CID85238647
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC NameN-methylhex-2-en-1-amine
SMILESCCCC=CCNC
InChIInChI=1S/C7H15N/c1-3-4-5-6-7-8-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyACZVDLNGAPRJPR-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

(4Z,8E)-dodeca-4,8-diene
CID 12576906
(4E,8E)-dodeca-4,8-diene
CID 12576905
ethane;(E)-oct-4-ene
CID 142055407
N-hex-2-enylformamide
CID 54372150
N-butyl-N'-hex-2-enylmethanediamine
CID 123196716
(4Z,7Z,10Z,13Z)-heptadeca-4,7,10,13-tetraene
CID 10473036
2-(hex-2-enylamino)ethanol
CID 173239159
(E)-hex-2-en-1-ol;hydrochloride
CID 141009996
tricosa-4,19-diene
CID 142680711
(E)-4-(methylamino)but-2-en-1-ol
CID 11083838
hexadeca-4,12-diene
CID 71384995
(Z)-3-chloro-N-methylprop-2-en-1-amine
CID 55286510

Frequently Asked Questions

What is the IUPAC name of N-methylhex-2-en-1-amine?
The IUPAC name of N-methylhex-2-en-1-amine (CID 85238647) is N-methylhex-2-en-1-amine.
What is the SMILES notation for N-methylhex-2-en-1-amine?
The canonical SMILES for N-methylhex-2-en-1-amine is CCCC=CCNC.
What is the InChIKey of N-methylhex-2-en-1-amine?
The InChIKey is ACZVDLNGAPRJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-3-4-5-6-7-8-2/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of N-methylhex-2-en-1-amine?
N-methylhex-2-en-1-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-2-en-1-amine is sourced from PubChem (CID 85238647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).