(E)-6-chloro-2-methylhex-5-en-3-yn-2-amine

C7H10ClN — CID 131243522

IUPAC(E)-6-chloro-2-methylhex-5-en-3-yn-2-amine
SMILESCC(C)(N)C#C/C=C/Cl
InChIInChI=1S/C7H10ClN/c1-7(2,9)5-3-4-6-8/h4,6H,9H2,1-2H3/b6-4+
InChIKeyHJLGUTKONOQEHV-GQCTYLIASA-N
MW143.62 g/mol
LogP1.48
Rot. Bonds

About (E)-6-chloro-2-methylhex-5-en-3-yn-2-amine

(E)-6-chloro-2-methylhex-5-en-3-yn-2-amine (PubChem CID 131243522) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is (E)-6-chloro-2-methylhex-5-en-3-yn-2-amine.

Molecular Properties

Compound Name(E)-6-chloro-2-methylhex-5-en-3-yn-2-amine
PubChem CID131243522
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name(E)-6-chloro-2-methylhex-5-en-3-yn-2-amine
SMILESCC(C)(N)C#C/C=C/Cl
InChIInChI=1S/C7H10ClN/c1-7(2,9)5-3-4-6-8/h4,6H,9H2,1-2H3/b6-4+
InChIKeyHJLGUTKONOQEHV-GQCTYLIASA-N
XLogP1.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-4-chlorobut-3-en-1-ynyl]-trimethylsilane
CID 10920792
(E)-5-chloropent-4-en-2-yn-1-amine
CID 131240519
2,2,17,17-tetramethyloctadeca-5,9,13-trien-3,7,11,15-tetrayne
CID 71332867
[(1E,5E)-6-chlorohexa-1,5-dien-3-ynyl]-trimethylsilane
CID 131236450
formyl chloride;2-methylpropan-2-amine
CID 175033696
[(E)-6-chlorohex-5-en-1,3-diynyl]-trimethylsilane
CID 102149262
tert-butyl-[(Z)-6-chlorohex-5-en-3-ynoxy]-dimethylsilane
CID 11021150
methyl (2Z,6E)-7-chlorohepta-2,6-dien-4-ynoate
CID 12031748
(Z)-2,9-dihydroperoxy-2,9-dimethyldec-5-en-3,7-diyne
CID 10176888
tert-butyl-[(Z)-10-chlorodec-9-en-7-ynoxy]-dimethylsilane
CID 87614824
(E)-1-chloro-5,5-diethoxypent-1-en-3-yne
CID 14067290
7,7-dimethyloct-3-en-5-yn-1-amine;hydrochloride
CID 173336692

Frequently Asked Questions

What is the IUPAC name of (E)-6-chloro-2-methylhex-5-en-3-yn-2-amine?
The IUPAC name of (E)-6-chloro-2-methylhex-5-en-3-yn-2-amine (CID 131243522) is (E)-6-chloro-2-methylhex-5-en-3-yn-2-amine.
What is the SMILES notation for (E)-6-chloro-2-methylhex-5-en-3-yn-2-amine?
The canonical SMILES for (E)-6-chloro-2-methylhex-5-en-3-yn-2-amine is CC(C)(N)C#C/C=C/Cl.
What is the InChIKey of (E)-6-chloro-2-methylhex-5-en-3-yn-2-amine?
The InChIKey is HJLGUTKONOQEHV-GQCTYLIASA-N. The full InChI is InChI=1S/C7H10ClN/c1-7(2,9)5-3-4-6-8/h4,6H,9H2,1-2H3/b6-4+.
What are the key properties of (E)-6-chloro-2-methylhex-5-en-3-yn-2-amine?
(E)-6-chloro-2-methylhex-5-en-3-yn-2-amine has a molecular weight of 143.62 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-chloro-2-methylhex-5-en-3-yn-2-amine is sourced from PubChem (CID 131243522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).