(E)-4-methylhex-3-en-1-amine

C7H15N — CID 63969892

IUPAC(E)-4-methylhex-3-en-1-amine
SMILESCC/C(C)=C/CCN
InChIInChI=1S/C7H15N/c1-3-7(2)5-4-6-8/h5H,3-4,6,8H2,1-2H3/b7-5+
InChIKeyPLBCYSPOAPIZGY-FNORWQNLSA-N
MW113.20 g/mol
LogP1.69
Rot. Bonds3

About (E)-4-methylhex-3-en-1-amine

(E)-4-methylhex-3-en-1-amine (PubChem CID 63969892) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is (E)-4-methylhex-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-methylhex-3-en-1-amine
PubChem CID63969892
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name(E)-4-methylhex-3-en-1-amine
SMILESCC/C(C)=C/CCN
InChIInChI=1S/C7H15N/c1-3-7(2)5-4-6-8/h5H,3-4,6,8H2,1-2H3/b7-5+
InChIKeyPLBCYSPOAPIZGY-FNORWQNLSA-N
XLogP1.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.69
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

4-methyl-6-methylideneoct-3-en-1-amine
CID 79590523
3-methylpent-2-en-1-amine
CID 76997051
ethane;(E)-3-methylpent-2-en-1-amine
CID 143325002
4-methylnon-3-en-1-amine
CID 79593569
4,6-dimethylhept-3-en-1-amine
CID 76997294
(E)-3-methylnon-3-ene
CID 5364647
3,7,11-trimethyltrideca-2,6,10-triene
CID 54049885
(3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol
CID 22749874
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
(Z)-3-methylheptadec-3-ene
CID 159647191
3-methylicos-3-ene
CID 91445266
3-methylundeca-3,7-diene
CID 57021497

Frequently Asked Questions

What is the IUPAC name of (E)-4-methylhex-3-en-1-amine?
The IUPAC name of (E)-4-methylhex-3-en-1-amine (CID 63969892) is (E)-4-methylhex-3-en-1-amine.
What is the SMILES notation for (E)-4-methylhex-3-en-1-amine?
The canonical SMILES for (E)-4-methylhex-3-en-1-amine is CC/C(C)=C/CCN.
What is the InChIKey of (E)-4-methylhex-3-en-1-amine?
The InChIKey is PLBCYSPOAPIZGY-FNORWQNLSA-N. The full InChI is InChI=1S/C7H15N/c1-3-7(2)5-4-6-8/h5H,3-4,6,8H2,1-2H3/b7-5+.
What are the key properties of (E)-4-methylhex-3-en-1-amine?
(E)-4-methylhex-3-en-1-amine has a molecular weight of 113.20 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methylhex-3-en-1-amine is sourced from PubChem (CID 63969892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).