(1Z,3Z)-2-ethyl-5-methylhexa-1,3,5-trien-1-amine

C9H15N — CID 89034156

IUPAC(1Z,3Z)-2-ethyl-5-methylhexa-1,3,5-trien-1-amine
SMILESC=C(C)/C=C\C(=C/N)CC
InChIInChI=1S/C9H15N/c1-4-9(7-10)6-5-8(2)3/h5-7H,2,4,10H2,1,3H3/b6-5-,9-7-
InChIKeyGORZTDRCWJFPIN-LZWBOMALSA-N
MW137.23 g/mol
LogP2.37
Rot. Bonds3

About (1Z,3Z)-2-ethyl-5-methylhexa-1,3,5-trien-1-amine

(1Z,3Z)-2-ethyl-5-methylhexa-1,3,5-trien-1-amine (PubChem CID 89034156) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (1Z,3Z)-2-ethyl-5-methylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-2-ethyl-5-methylhexa-1,3,5-trien-1-amine
PubChem CID89034156
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(1Z,3Z)-2-ethyl-5-methylhexa-1,3,5-trien-1-amine
SMILESC=C(C)/C=C\C(=C/N)CC
InChIInChI=1S/C9H15N/c1-4-9(7-10)6-5-8(2)3/h5-7H,2,4,10H2,1,3H3/b6-5-,9-7-
InChIKeyGORZTDRCWJFPIN-LZWBOMALSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.37
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 (1Z,3Z)-2-ethyl-5-methylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-2-ethyl-5-methylhexa-1,3,5-trien-1-amine (CID 89034156) is (1Z,3Z)-2-ethyl-5-methylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-2-ethyl-5-methylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-2-ethyl-5-methylhexa-1,3,5-trien-1-amine is C=C(C)/C=C\C(=C/N)CC.
What is the InChIKey of (1Z,3Z)-2-ethyl-5-methylhexa-1,3,5-trien-1-amine?
The InChIKey is GORZTDRCWJFPIN-LZWBOMALSA-N. The full InChI is InChI=1S/C9H15N/c1-4-9(7-10)6-5-8(2)3/h5-7H,2,4,10H2,1,3H3/b6-5-,9-7-.
What are the key properties of (1Z,3Z)-2-ethyl-5-methylhexa-1,3,5-trien-1-amine?
(1Z,3Z)-2-ethyl-5-methylhexa-1,3,5-trien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-2-ethyl-5-methylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89034156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).