(3E)-N-ethyl-4-methylhexa-1,3-dien-2-amine

C9H17N — CID 88914753

IUPAC(3E)-N-ethyl-4-methylhexa-1,3-dien-2-amine
SMILESC=C(/C=C(\C)CC)NCC
InChIInChI=1S/C9H17N/c1-5-8(3)7-9(4)10-6-2/h7,10H,4-6H2,1-3H3/b8-7+
InChIKeyFJYABDLSINVCOX-BQYQJAHWSA-N
MW139.24 g/mol
LogP2.47
Rot. Bonds4

About (3E)-N-ethyl-4-methylhexa-1,3-dien-2-amine

(3E)-N-ethyl-4-methylhexa-1,3-dien-2-amine (PubChem CID 88914753) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (3E)-N-ethyl-4-methylhexa-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-N-ethyl-4-methylhexa-1,3-dien-2-amine
PubChem CID88914753
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(3E)-N-ethyl-4-methylhexa-1,3-dien-2-amine
SMILESC=C(/C=C(\C)CC)NCC
InChIInChI=1S/C9H17N/c1-5-8(3)7-9(4)10-6-2/h7,10H,4-6H2,1-3H3/b8-7+
InChIKeyFJYABDLSINVCOX-BQYQJAHWSA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-N-ethyl-4-methylhexa-1,3-dien-2-amine?
The IUPAC name of (3E)-N-ethyl-4-methylhexa-1,3-dien-2-amine (CID 88914753) is (3E)-N-ethyl-4-methylhexa-1,3-dien-2-amine.
What is the SMILES notation for (3E)-N-ethyl-4-methylhexa-1,3-dien-2-amine?
The canonical SMILES for (3E)-N-ethyl-4-methylhexa-1,3-dien-2-amine is C=C(/C=C(\C)CC)NCC.
What is the InChIKey of (3E)-N-ethyl-4-methylhexa-1,3-dien-2-amine?
The InChIKey is FJYABDLSINVCOX-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H17N/c1-5-8(3)7-9(4)10-6-2/h7,10H,4-6H2,1-3H3/b8-7+.
What are the key properties of (3E)-N-ethyl-4-methylhexa-1,3-dien-2-amine?
(3E)-N-ethyl-4-methylhexa-1,3-dien-2-amine has a molecular weight of 139.24 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-ethyl-4-methylhexa-1,3-dien-2-amine is sourced from PubChem (CID 88914753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).