(2S,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine

C9H15N — CID 142067260

IUPAC(2S,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine
SMILESC=C/C=C(\C=C)[C@H](C)NC
InChIInChI=1S/C9H15N/c1-5-7-9(6-2)8(3)10-4/h5-8,10H,1-2H2,3-4H3/b9-7+/t8-/m0/s1
InChIKeyJQCXQPUTZQTSNC-INTFFVIUSA-N
MW137.23 g/mol
LogP1.89
Rot. Bonds4

About (2S,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine

(2S,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine (PubChem CID 142067260) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (2S,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine.

Molecular Properties

Compound Name(2S,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine
PubChem CID142067260
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(2S,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine
SMILESC=C/C=C(\C=C)[C@H](C)NC
InChIInChI=1S/C9H15N/c1-5-7-9(6-2)8(3)10-4/h5-8,10H,1-2H2,3-4H3/b9-7+/t8-/m0/s1
InChIKeyJQCXQPUTZQTSNC-INTFFVIUSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
2,4,6-Cycloheptatriene-1-ethylamine
CID 58094
Phenhomazine
CID 3081938
2,6-Diallyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 3143282
Pyridine, 3-ethyl-1,2,5,6-tetrahydro-6-methyl-
CID 23423764
1-Cyclohexa-1,5-dien-1-ylethanamine
CID 91106318
N,5-dimethylhex-4-en-2-amine
CID 123421000
4-fluoro-N,2-dimethylcyclohexa-2,4-dien-1-amine
CID 68241956
1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 70372203
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
(2R,4Z,6E)-6-fluoro-3-methylideneocta-4,6-dien-2-amine
CID 89611538
(2S,3E,5E)-3-ethenyl-6-fluorohepta-3,5-dien-2-amine
CID 89952136

Frequently Asked Questions

What is the IUPAC name of (2S,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine?
The IUPAC name of (2S,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine (CID 142067260) is (2S,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine.
What is the SMILES notation for (2S,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine?
The canonical SMILES for (2S,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine is C=C/C=C(\C=C)[C@H](C)NC.
What is the InChIKey of (2S,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine?
The InChIKey is JQCXQPUTZQTSNC-INTFFVIUSA-N. The full InChI is InChI=1S/C9H15N/c1-5-7-9(6-2)8(3)10-4/h5-8,10H,1-2H2,3-4H3/b9-7+/t8-/m0/s1.
What are the key properties of (2S,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine?
(2S,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine has a molecular weight of 137.23 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine is sourced from PubChem (CID 142067260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).