(3E,5Z)-N-ethyl-N,3-dimethylhepta-3,5-dien-1-amine

C11H21N — CID 90245566

IUPAC(3E,5Z)-N-ethyl-N,3-dimethylhepta-3,5-dien-1-amine
SMILESC/C=C\C=C(/C)CCN(C)CC
InChIInChI=1S/C11H21N/c1-5-7-8-11(3)9-10-12(4)6-2/h5,7-8H,6,9-10H2,1-4H3/b7-5-,11-8+
InChIKeySRZOYSUYLNZUPI-UKJSTWFMSA-N
MW167.30 g/mol
LogP2.85
Rot. Bonds5

About (3E,5Z)-N-ethyl-N,3-dimethylhepta-3,5-dien-1-amine

(3E,5Z)-N-ethyl-N,3-dimethylhepta-3,5-dien-1-amine (PubChem CID 90245566) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (3E,5Z)-N-ethyl-N,3-dimethylhepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3E,5Z)-N-ethyl-N,3-dimethylhepta-3,5-dien-1-amine
PubChem CID90245566
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(3E,5Z)-N-ethyl-N,3-dimethylhepta-3,5-dien-1-amine
SMILESC/C=C\C=C(/C)CCN(C)CC
InChIInChI=1S/C11H21N/c1-5-7-8-11(3)9-10-12(4)6-2/h5,7-8H,6,9-10H2,1-4H3/b7-5-,11-8+
InChIKeySRZOYSUYLNZUPI-UKJSTWFMSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
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,5Z)-N-ethyl-N,3-dimethylhepta-3,5-dien-1-amine?
The IUPAC name of (3E,5Z)-N-ethyl-N,3-dimethylhepta-3,5-dien-1-amine (CID 90245566) is (3E,5Z)-N-ethyl-N,3-dimethylhepta-3,5-dien-1-amine.
What is the SMILES notation for (3E,5Z)-N-ethyl-N,3-dimethylhepta-3,5-dien-1-amine?
The canonical SMILES for (3E,5Z)-N-ethyl-N,3-dimethylhepta-3,5-dien-1-amine is C/C=C\C=C(/C)CCN(C)CC.
What is the InChIKey of (3E,5Z)-N-ethyl-N,3-dimethylhepta-3,5-dien-1-amine?
The InChIKey is SRZOYSUYLNZUPI-UKJSTWFMSA-N. The full InChI is InChI=1S/C11H21N/c1-5-7-8-11(3)9-10-12(4)6-2/h5,7-8H,6,9-10H2,1-4H3/b7-5-,11-8+.
What are the key properties of (3E,5Z)-N-ethyl-N,3-dimethylhepta-3,5-dien-1-amine?
(3E,5Z)-N-ethyl-N,3-dimethylhepta-3,5-dien-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-ethyl-N,3-dimethylhepta-3,5-dien-1-amine is sourced from PubChem (CID 90245566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).