(2E,4Z)-2-ethyl-8-methyl-N-propan-2-ylnona-2,4-dien-1-amine

C15H29N — CID 170393482

IUPAC(2E,4Z)-2-ethyl-8-methyl-N-propan-2-ylnona-2,4-dien-1-amine
SMILESCC/C(=C\C=C/CCC(C)C)CNC(C)C
InChIInChI=1S/C15H29N/c1-6-15(12-16-14(4)5)11-9-7-8-10-13(2)3/h7,9,11,13-14,16H,6,8,10,12H2,1-5H3/b9-7-,15-11+
InChIKeyNXYYPJWQMNPNMW-OLIVZONJSA-N
MW223.40 g/mol
LogP4.31
Rot. Bonds8

About (2E,4Z)-2-ethyl-8-methyl-N-propan-2-ylnona-2,4-dien-1-amine

(2E,4Z)-2-ethyl-8-methyl-N-propan-2-ylnona-2,4-dien-1-amine (PubChem CID 170393482) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is (2E,4Z)-2-ethyl-8-methyl-N-propan-2-ylnona-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-2-ethyl-8-methyl-N-propan-2-ylnona-2,4-dien-1-amine
PubChem CID170393482
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name(2E,4Z)-2-ethyl-8-methyl-N-propan-2-ylnona-2,4-dien-1-amine
SMILESCC/C(=C\C=C/CCC(C)C)CNC(C)C
InChIInChI=1S/C15H29N/c1-6-15(12-16-14(4)5)11-9-7-8-10-13(2)3/h7,9,11,13-14,16H,6,8,10,12H2,1-5H3/b9-7-,15-11+
InChIKeyNXYYPJWQMNPNMW-OLIVZONJSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.31
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 (2E,4Z)-2-ethyl-8-methyl-N-propan-2-ylnona-2,4-dien-1-amine?
The IUPAC name of (2E,4Z)-2-ethyl-8-methyl-N-propan-2-ylnona-2,4-dien-1-amine (CID 170393482) is (2E,4Z)-2-ethyl-8-methyl-N-propan-2-ylnona-2,4-dien-1-amine.
What is the SMILES notation for (2E,4Z)-2-ethyl-8-methyl-N-propan-2-ylnona-2,4-dien-1-amine?
The canonical SMILES for (2E,4Z)-2-ethyl-8-methyl-N-propan-2-ylnona-2,4-dien-1-amine is CC/C(=C\C=C/CCC(C)C)CNC(C)C.
What is the InChIKey of (2E,4Z)-2-ethyl-8-methyl-N-propan-2-ylnona-2,4-dien-1-amine?
The InChIKey is NXYYPJWQMNPNMW-OLIVZONJSA-N. The full InChI is InChI=1S/C15H29N/c1-6-15(12-16-14(4)5)11-9-7-8-10-13(2)3/h7,9,11,13-14,16H,6,8,10,12H2,1-5H3/b9-7-,15-11+.
What are the key properties of (2E,4Z)-2-ethyl-8-methyl-N-propan-2-ylnona-2,4-dien-1-amine?
(2E,4Z)-2-ethyl-8-methyl-N-propan-2-ylnona-2,4-dien-1-amine has a molecular weight of 223.40 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-ethyl-8-methyl-N-propan-2-ylnona-2,4-dien-1-amine is sourced from PubChem (CID 170393482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).