(E)-5-methylhex-3-en-2-amine

C7H15N — CID 103668442

IUPAC(E)-5-methylhex-3-en-2-amine
SMILESCC(C)/C=C/C(C)N
InChIInChI=1S/C7H15N/c1-6(2)4-5-7(3)8/h4-7H,8H2,1-3H3/b5-4+
InChIKeyWXJZIYAHRKVLJI-SNAWJCMRSA-N
MW113.20 g/mol
LogP1.55
Rot. Bonds2

About (E)-5-methylhex-3-en-2-amine

(E)-5-methylhex-3-en-2-amine (PubChem CID 103668442) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is (E)-5-methylhex-3-en-2-amine.

Molecular Properties

Compound Name(E)-5-methylhex-3-en-2-amine
PubChem CID103668442
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name(E)-5-methylhex-3-en-2-amine
SMILESCC(C)/C=C/C(C)N
InChIInChI=1S/C7H15N/c1-6(2)4-5-7(3)8/h4-7H,8H2,1-3H3/b5-4+
InChIKeyWXJZIYAHRKVLJI-SNAWJCMRSA-N
XLogP1.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.55
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

(E)-pent-3-en-2-amine
CID 13149669
(E)-2,5-dimethylhex-3-ene;(3E,5E)-2,7-dimethylocta-3,5-diene
CID 158024644
[[(Z)-5-aminohex-3-en-2-yl]amino]azanide;rhenium
CID 177246585
ethyl (Z)-2,5-diaminohex-3-enoate
CID 154468821
(3Z,5Z)-hepta-3,5-dien-2-amine
CID 139386653
3-methylbut-1-en-1-amine;hydrochloride
CID 53405415
2,5-dimethylhexane;(E)-2,5-dimethylhex-3-ene
CID 160891186
(Z,5R)-2,5,6-trimethylhept-3-ene
CID 155647530
(E)-5-methylhex-3-en-2-ol
CID 11251985
(Z,2R)-5-methylhex-3-en-2-ol
CID 89011913
2-[(Z)-2,5-diaminohex-3-enoyl]oxyacetic acid
CID 154468824
(E)-hex-3-en-2-amine;hydrochloride
CID 55289622

Frequently Asked Questions

What is the IUPAC name of (E)-5-methylhex-3-en-2-amine?
The IUPAC name of (E)-5-methylhex-3-en-2-amine (CID 103668442) is (E)-5-methylhex-3-en-2-amine.
What is the SMILES notation for (E)-5-methylhex-3-en-2-amine?
The canonical SMILES for (E)-5-methylhex-3-en-2-amine is CC(C)/C=C/C(C)N.
What is the InChIKey of (E)-5-methylhex-3-en-2-amine?
The InChIKey is WXJZIYAHRKVLJI-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H15N/c1-6(2)4-5-7(3)8/h4-7H,8H2,1-3H3/b5-4+.
What are the key properties of (E)-5-methylhex-3-en-2-amine?
(E)-5-methylhex-3-en-2-amine has a molecular weight of 113.20 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methylhex-3-en-2-amine is sourced from PubChem (CID 103668442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).