(2E,4Z)-1-chloro-N-ethylhexa-2,4-dien-3-amine

C8H14ClN — CID 143094103

IUPAC(2E,4Z)-1-chloro-N-ethylhexa-2,4-dien-3-amine
SMILESC/C=C\C(=C/CCl)NCC
InChIInChI=1S/C8H14ClN/c1-3-5-8(6-7-9)10-4-2/h3,5-6,10H,4,7H2,1-2H3/b5-3-,8-6+
InChIKeyUMRZYBJCNSGCBD-CUKJDEOPSA-N
MW159.66 g/mol
LogP2.29
Rot. Bonds4

About (2E,4Z)-1-chloro-N-ethylhexa-2,4-dien-3-amine

(2E,4Z)-1-chloro-N-ethylhexa-2,4-dien-3-amine (PubChem CID 143094103) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is (2E,4Z)-1-chloro-N-ethylhexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-1-chloro-N-ethylhexa-2,4-dien-3-amine
PubChem CID143094103
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC Name(2E,4Z)-1-chloro-N-ethylhexa-2,4-dien-3-amine
SMILESC/C=C\C(=C/CCl)NCC
InChIInChI=1S/C8H14ClN/c1-3-5-8(6-7-9)10-4-2/h3,5-6,10H,4,7H2,1-2H3/b5-3-,8-6+
InChIKeyUMRZYBJCNSGCBD-CUKJDEOPSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-1-chloro-N-ethylhexa-2,4-dien-3-amine?
The IUPAC name of (2E,4Z)-1-chloro-N-ethylhexa-2,4-dien-3-amine (CID 143094103) is (2E,4Z)-1-chloro-N-ethylhexa-2,4-dien-3-amine.
What is the SMILES notation for (2E,4Z)-1-chloro-N-ethylhexa-2,4-dien-3-amine?
The canonical SMILES for (2E,4Z)-1-chloro-N-ethylhexa-2,4-dien-3-amine is C/C=C\C(=C/CCl)NCC.
What is the InChIKey of (2E,4Z)-1-chloro-N-ethylhexa-2,4-dien-3-amine?
The InChIKey is UMRZYBJCNSGCBD-CUKJDEOPSA-N. The full InChI is InChI=1S/C8H14ClN/c1-3-5-8(6-7-9)10-4-2/h3,5-6,10H,4,7H2,1-2H3/b5-3-,8-6+.
What are the key properties of (2E,4Z)-1-chloro-N-ethylhexa-2,4-dien-3-amine?
(2E,4Z)-1-chloro-N-ethylhexa-2,4-dien-3-amine has a molecular weight of 159.66 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-1-chloro-N-ethylhexa-2,4-dien-3-amine is sourced from PubChem (CID 143094103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).