(3Z)-N-ethylhexa-3,5-dien-2-amine

C8H15N — CID 163672375

IUPAC(3Z)-N-ethylhexa-3,5-dien-2-amine
SMILESC=C/C=C\C(C)NCC
InChIInChI=1S/C8H15N/c1-4-6-7-8(3)9-5-2/h4,6-9H,1,5H2,2-3H3/b7-6-
InChIKeyJDROTAJWNRRZMB-SREVYHEPSA-N
MW125.21 g/mol
LogP1.73
Rot. Bonds4

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

(3Z)-N-ethylhexa-3,5-dien-2-amine (PubChem CID 163672375) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (3Z)-N-ethylhexa-3,5-dien-2-amine.

Molecular Properties

Compound Name(3Z)-N-ethylhexa-3,5-dien-2-amine
PubChem CID163672375
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(3Z)-N-ethylhexa-3,5-dien-2-amine
SMILESC=C/C=C\C(C)NCC
InChIInChI=1S/C8H15N/c1-4-6-7-8(3)9-5-2/h4,6-9H,1,5H2,2-3H3/b7-6-
InChIKeyJDROTAJWNRRZMB-SREVYHEPSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.73
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 (3Z)-N-ethylhexa-3,5-dien-2-amine?
The IUPAC name of (3Z)-N-ethylhexa-3,5-dien-2-amine (CID 163672375) is (3Z)-N-ethylhexa-3,5-dien-2-amine.
What is the SMILES notation for (3Z)-N-ethylhexa-3,5-dien-2-amine?
The canonical SMILES for (3Z)-N-ethylhexa-3,5-dien-2-amine is C=C/C=C\C(C)NCC.
What is the InChIKey of (3Z)-N-ethylhexa-3,5-dien-2-amine?
The InChIKey is JDROTAJWNRRZMB-SREVYHEPSA-N. The full InChI is InChI=1S/C8H15N/c1-4-6-7-8(3)9-5-2/h4,6-9H,1,5H2,2-3H3/b7-6-.
What are the key properties of (3Z)-N-ethylhexa-3,5-dien-2-amine?
(3Z)-N-ethylhexa-3,5-dien-2-amine has a molecular weight of 125.21 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethylhexa-3,5-dien-2-amine is sourced from PubChem (CID 163672375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).