(3Z)-5-chloro-N,5-dimethylhexa-1,3-dien-2-amine

C8H14ClN — CID 134444151

IUPAC(3Z)-5-chloro-N,5-dimethylhexa-1,3-dien-2-amine
SMILESC=C(/C=C\C(C)(C)Cl)NC
InChIInChI=1S/C8H14ClN/c1-7(10-4)5-6-8(2,3)9/h5-6,10H,1H2,2-4H3/b6-5-
InChIKeyZFIKNYRHBUEKDP-WAYWQWQTSA-N
MW159.66 g/mol
LogP2.29
Rot. Bonds3

About (3Z)-5-chloro-N,5-dimethylhexa-1,3-dien-2-amine

(3Z)-5-chloro-N,5-dimethylhexa-1,3-dien-2-amine (PubChem CID 134444151) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is (3Z)-5-chloro-N,5-dimethylhexa-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-5-chloro-N,5-dimethylhexa-1,3-dien-2-amine
PubChem CID134444151
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC Name(3Z)-5-chloro-N,5-dimethylhexa-1,3-dien-2-amine
SMILESC=C(/C=C\C(C)(C)Cl)NC
InChIInChI=1S/C8H14ClN/c1-7(10-4)5-6-8(2,3)9/h5-6,10H,1H2,2-4H3/b6-5-
InChIKeyZFIKNYRHBUEKDP-WAYWQWQTSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Related Compounds

2-Chloropicoline
CID 19964169
5-fluoro-N,5-dimethylcyclohepta-1,3,6-trien-1-amine
CID 130272610
(2Z,4E)-3-chloro-N-ethenyl-4-fluorohepta-2,4-dien-2-amine
CID 137432143
(1S)-5-chloro-3-fluoro-4-N,1-dimethylcyclohepta-2,4,6-triene-1,4-diamine
CID 146175640
(2E,4Z)-6-fluoro-N,6-dimethylhepta-2,4-dien-3-amine
CID 146499180
5-chloro-4-fluoro-N-methylcyclohepta-1,3,5-trien-1-amine
CID 155329831
(2Z,4Z,6E)-6-(chloromethylidene)-2-fluoro-N-methylocta-2,4,7-trien-3-amine
CID 166539502
(1E,6Z)-6-chloro-1,8,8-trifluoro-N,7-dimethylocta-1,4,6-trien-2-amine
CID 143206988
(3E)-4-chloro-N-methyl-5-(trifluoromethyl)hexa-1,3,5-trien-2-amine
CID 162575702
4-Chloro-2-methyl-1,2-dihydropyridine
CID 19600403
2-chloro-2-methyl-1H-pyridin-1-ium iodide
CID 19964168
N-methylcyclopenta-1,4-dien-1-amine
CID 21136363

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-chloro-N,5-dimethylhexa-1,3-dien-2-amine?
The IUPAC name of (3Z)-5-chloro-N,5-dimethylhexa-1,3-dien-2-amine (CID 134444151) is (3Z)-5-chloro-N,5-dimethylhexa-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-5-chloro-N,5-dimethylhexa-1,3-dien-2-amine?
The canonical SMILES for (3Z)-5-chloro-N,5-dimethylhexa-1,3-dien-2-amine is C=C(/C=C\C(C)(C)Cl)NC.
What is the InChIKey of (3Z)-5-chloro-N,5-dimethylhexa-1,3-dien-2-amine?
The InChIKey is ZFIKNYRHBUEKDP-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H14ClN/c1-7(10-4)5-6-8(2,3)9/h5-6,10H,1H2,2-4H3/b6-5-.
What are the key properties of (3Z)-5-chloro-N,5-dimethylhexa-1,3-dien-2-amine?
(3Z)-5-chloro-N,5-dimethylhexa-1,3-dien-2-amine has a molecular weight of 159.66 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-chloro-N,5-dimethylhexa-1,3-dien-2-amine is sourced from PubChem (CID 134444151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).