(3Z,5Z)-N-(2-ethoxyethyl)-5-ethylhepta-3,5-dien-2-amine

C13H25NO — CID 145012066

IUPAC(3Z,5Z)-N-(2-ethoxyethyl)-5-ethylhepta-3,5-dien-2-amine
SMILESC/C=C(\C=C/C(C)NCCOCC)CC
InChIInChI=1S/C13H25NO/c1-5-13(6-2)9-8-12(4)14-10-11-15-7-3/h5,8-9,12,14H,6-7,10-11H2,1-4H3/b9-8-,13-5-
InChIKeyZHMLIUOXPSIOKF-ABJYCCJOSA-N
MW211.35 g/mol
LogP2.91
Rot. Bonds8

About (3Z,5Z)-N-(2-ethoxyethyl)-5-ethylhepta-3,5-dien-2-amine

(3Z,5Z)-N-(2-ethoxyethyl)-5-ethylhepta-3,5-dien-2-amine (PubChem CID 145012066) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (3Z,5Z)-N-(2-ethoxyethyl)-5-ethylhepta-3,5-dien-2-amine.

Molecular Properties

Compound Name(3Z,5Z)-N-(2-ethoxyethyl)-5-ethylhepta-3,5-dien-2-amine
PubChem CID145012066
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(3Z,5Z)-N-(2-ethoxyethyl)-5-ethylhepta-3,5-dien-2-amine
SMILESC/C=C(\C=C/C(C)NCCOCC)CC
InChIInChI=1S/C13H25NO/c1-5-13(6-2)9-8-12(4)14-10-11-15-7-3/h5,8-9,12,14H,6-7,10-11H2,1-4H3/b9-8-,13-5-
InChIKeyZHMLIUOXPSIOKF-ABJYCCJOSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N-(2-ethoxyethyl)-5-ethylhepta-3,5-dien-2-amine?
The IUPAC name of (3Z,5Z)-N-(2-ethoxyethyl)-5-ethylhepta-3,5-dien-2-amine (CID 145012066) is (3Z,5Z)-N-(2-ethoxyethyl)-5-ethylhepta-3,5-dien-2-amine.
What is the SMILES notation for (3Z,5Z)-N-(2-ethoxyethyl)-5-ethylhepta-3,5-dien-2-amine?
The canonical SMILES for (3Z,5Z)-N-(2-ethoxyethyl)-5-ethylhepta-3,5-dien-2-amine is C/C=C(\C=C/C(C)NCCOCC)CC.
What is the InChIKey of (3Z,5Z)-N-(2-ethoxyethyl)-5-ethylhepta-3,5-dien-2-amine?
The InChIKey is ZHMLIUOXPSIOKF-ABJYCCJOSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-13(6-2)9-8-12(4)14-10-11-15-7-3/h5,8-9,12,14H,6-7,10-11H2,1-4H3/b9-8-,13-5-.
What are the key properties of (3Z,5Z)-N-(2-ethoxyethyl)-5-ethylhepta-3,5-dien-2-amine?
(3Z,5Z)-N-(2-ethoxyethyl)-5-ethylhepta-3,5-dien-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-(2-ethoxyethyl)-5-ethylhepta-3,5-dien-2-amine is sourced from PubChem (CID 145012066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).