(2E,4E)-3-chloro-5-methylhepta-2,4-dien-4-amine

C8H14ClN — CID 145473645

IUPAC(2E,4E)-3-chloro-5-methylhepta-2,4-dien-4-amine
SMILESC/C=C(Cl)\C(N)=C(\C)CC
InChIInChI=1S/C8H14ClN/c1-4-6(3)8(10)7(9)5-2/h5H,4,10H2,1-3H3/b7-5+,8-6+
InChIKeyHPDGJEFLZHRAOR-KQQUZDAGSA-N
MW159.66 g/mol
LogP2.77
Rot. Bonds2

About (2E,4E)-3-chloro-5-methylhepta-2,4-dien-4-amine

(2E,4E)-3-chloro-5-methylhepta-2,4-dien-4-amine (PubChem CID 145473645) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is (2E,4E)-3-chloro-5-methylhepta-2,4-dien-4-amine.

Molecular Properties

Compound Name(2E,4E)-3-chloro-5-methylhepta-2,4-dien-4-amine
PubChem CID145473645
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC Name(2E,4E)-3-chloro-5-methylhepta-2,4-dien-4-amine
SMILESC/C=C(Cl)\C(N)=C(\C)CC
InChIInChI=1S/C8H14ClN/c1-4-6(3)8(10)7(9)5-2/h5H,4,10H2,1-3H3/b7-5+,8-6+
InChIKeyHPDGJEFLZHRAOR-KQQUZDAGSA-N
XLogP2.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 52.77
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)-2,4-dimethylhexa-1,3-dien-3-amine
CID 167041122
4-chloro-5-methylhepta-2,4-diene
CID 123851314
(E)-4-methylhex-3-en-3-amine
CID 129020883
(2E,4Z)-3-chloro-4-methylhepta-2,4-diene
CID 134365693
4-fluoro-5-methylhepta-2,4-diene
CID 123466906
(E)-(1-amino-2-methylbutylidene)-[(E)-1-chloro-2-methylbut-1-enyl]azanium chloride
CID 134893743
(2Z,4Z)-3,4,5-trimethylhepta-2,4-diene
CID 157171896
(2E,4E)-3-chloro-4-methylhexa-2,4-diene
CID 144881420
2,3-dimethylpent-2-ene;hydrazine
CID 87640391
(3E,5E)-5-chloro-N,3-dimethylocta-3,5-dien-4-amine
CID 171794714
(Z)-2-methyl-1-methylsulfanylbut-1-en-1-amine
CID 173476232
acetylene;ethane;methane;(Z)-3-methylpent-2-en-2-amine
CID 169178718

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-3-chloro-5-methylhepta-2,4-dien-4-amine?
The IUPAC name of (2E,4E)-3-chloro-5-methylhepta-2,4-dien-4-amine (CID 145473645) is (2E,4E)-3-chloro-5-methylhepta-2,4-dien-4-amine.
What is the SMILES notation for (2E,4E)-3-chloro-5-methylhepta-2,4-dien-4-amine?
The canonical SMILES for (2E,4E)-3-chloro-5-methylhepta-2,4-dien-4-amine is C/C=C(Cl)\C(N)=C(\C)CC.
What is the InChIKey of (2E,4E)-3-chloro-5-methylhepta-2,4-dien-4-amine?
The InChIKey is HPDGJEFLZHRAOR-KQQUZDAGSA-N. The full InChI is InChI=1S/C8H14ClN/c1-4-6(3)8(10)7(9)5-2/h5H,4,10H2,1-3H3/b7-5+,8-6+.
What are the key properties of (2E,4E)-3-chloro-5-methylhepta-2,4-dien-4-amine?
(2E,4E)-3-chloro-5-methylhepta-2,4-dien-4-amine has a molecular weight of 159.66 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-3-chloro-5-methylhepta-2,4-dien-4-amine is sourced from PubChem (CID 145473645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).