(2E,4Z)-6-chloro-N-methylhepta-2,4,6-trien-2-amine

C8H12ClN — CID 145165350

IUPAC(2E,4Z)-6-chloro-N-methylhepta-2,4,6-trien-2-amine
SMILESC=C(Cl)/C=C\C=C(/C)NC
InChIInChI=1S/C8H12ClN/c1-7(9)5-4-6-8(2)10-3/h4-6,10H,1H2,2-3H3/b5-4-,8-6+
InChIKeyWUSAEJJTVVQNAP-GSGSLZOQSA-N
MW157.64 g/mol
LogP2.42
Rot. Bonds3

About (2E,4Z)-6-chloro-N-methylhepta-2,4,6-trien-2-amine

(2E,4Z)-6-chloro-N-methylhepta-2,4,6-trien-2-amine (PubChem CID 145165350) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is (2E,4Z)-6-chloro-N-methylhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4Z)-6-chloro-N-methylhepta-2,4,6-trien-2-amine
PubChem CID145165350
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC Name(2E,4Z)-6-chloro-N-methylhepta-2,4,6-trien-2-amine
SMILESC=C(Cl)/C=C\C=C(/C)NC
InChIInChI=1S/C8H12ClN/c1-7(9)5-4-6-8(2)10-3/h4-6,10H,1H2,2-3H3/b5-4-,8-6+
InChIKeyWUSAEJJTVVQNAP-GSGSLZOQSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.64
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5E)-2,6-dichlorohepta-1,3,5-triene
CID 89197889
(2Z,4E)-N-methyl-6-methyliminohepta-2,4-dien-2-amine
CID 131965537
(2Z,4E)-N-methylhexa-2,4-dien-2-amine
CID 142249043
(2Z,4Z)-N-methylhexa-2,4-dien-2-amine
CID 89105834
(2E,4Z)-6-chloro-2-methylhepta-2,4,6-trienal
CID 170108495
(2Z,4Z)-N-methylhepta-2,4-dien-2-amine
CID 89431682
(2E,4Z)-N,6-dimethylhepta-2,4-dien-2-amine
CID 126583961
2-chloro-5-methylhepta-1,3,5-triene
CID 123971323
(3Z,5E)-2,6-dichloro-5-methylhepta-1,3,5-triene
CID 142010066
(3Z)-2-chloro-5-methylhexa-1,3,5-triene;propane
CID 142924242
(2Z,4E)-N,5-dimethylhepta-2,4-dien-2-amine
CID 118534630
(3Z)-2,6-dimethylhepta-1,3,5-triene
CID 96562826

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-6-chloro-N-methylhepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4Z)-6-chloro-N-methylhepta-2,4,6-trien-2-amine (CID 145165350) is (2E,4Z)-6-chloro-N-methylhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4Z)-6-chloro-N-methylhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4Z)-6-chloro-N-methylhepta-2,4,6-trien-2-amine is C=C(Cl)/C=C\C=C(/C)NC.
What is the InChIKey of (2E,4Z)-6-chloro-N-methylhepta-2,4,6-trien-2-amine?
The InChIKey is WUSAEJJTVVQNAP-GSGSLZOQSA-N. The full InChI is InChI=1S/C8H12ClN/c1-7(9)5-4-6-8(2)10-3/h4-6,10H,1H2,2-3H3/b5-4-,8-6+.
What are the key properties of (2E,4Z)-6-chloro-N-methylhepta-2,4,6-trien-2-amine?
(2E,4Z)-6-chloro-N-methylhepta-2,4,6-trien-2-amine has a molecular weight of 157.64 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-chloro-N-methylhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 145165350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).