[1-[(E)-3-chloroprop-2-enyl]cyclopentyl]methanamine

C9H16ClN — CID 130514671

IUPAC[1-[(E)-3-chloroprop-2-enyl]cyclopentyl]methanamine
SMILESNCC1(C/C=C/Cl)CCCC1
InChIInChI=1S/C9H16ClN/c10-7-3-6-9(8-11)4-1-2-5-9/h3,7H,1-2,4-6,8,11H2/b7-3+
InChIKeyJEDJKVJGHXABNQ-XVNBXDOJSA-N
MW173.69 g/mol
LogP2.65
Rot. Bonds3

About [1-[(E)-3-chloroprop-2-enyl]cyclopentyl]methanamine

[1-[(E)-3-chloroprop-2-enyl]cyclopentyl]methanamine (PubChem CID 130514671) has the molecular formula C9H16ClN and a molecular weight of 173.69 g/mol. Its IUPAC name is [1-[(E)-3-chloroprop-2-enyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[(E)-3-chloroprop-2-enyl]cyclopentyl]methanamine
PubChem CID130514671
Molecular FormulaC9H16ClN
Molecular Weight173.69 g/mol
Exact Mass173.10
IUPAC Name[1-[(E)-3-chloroprop-2-enyl]cyclopentyl]methanamine
SMILESNCC1(C/C=C/Cl)CCCC1
InChIInChI=1S/C9H16ClN/c10-7-3-6-9(8-11)4-1-2-5-9/h3,7H,1-2,4-6,8,11H2/b7-3+
InChIKeyJEDJKVJGHXABNQ-XVNBXDOJSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.69
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(chloromethyl)cyclohexyl]methanamine
CID 55255403
[1-(aminomethyl)cyclohexyl]methanamine;platinum(2+);dichloride
CID 10250859
1-[(E)-3-chloroprop-2-enyl]cyclohexane-1-carbaldehyde
CID 131232284
[1-(aminomethyl)cyclopentyl]methanethiol
CID 83678920
(1-ethylcyclooctyl)methanamine
CID 80604065
[1-(fluoromethyl)cyclopentyl]methanamine;hydrochloride
CID 105433644
2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide
CID 66875980
[1-(trimethylsilylmethyl)cyclobutyl]methanamine
CID 106323651
[1-(2,2,2-trifluoroethyl)cyclopentyl]methanamine
CID 105439345
sodium;2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrate
CID 18668043
[1-(pyrrolidin-1-ylmethyl)cyclopentyl]methanamine
CID 62261664
[1-(3-methylbut-2-enyl)cyclopropyl]methanamine
CID 130515255

Frequently Asked Questions

What is the IUPAC name of [1-[(E)-3-chloroprop-2-enyl]cyclopentyl]methanamine?
The IUPAC name of [1-[(E)-3-chloroprop-2-enyl]cyclopentyl]methanamine (CID 130514671) is [1-[(E)-3-chloroprop-2-enyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[(E)-3-chloroprop-2-enyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[(E)-3-chloroprop-2-enyl]cyclopentyl]methanamine is NCC1(C/C=C/Cl)CCCC1.
What is the InChIKey of [1-[(E)-3-chloroprop-2-enyl]cyclopentyl]methanamine?
The InChIKey is JEDJKVJGHXABNQ-XVNBXDOJSA-N. The full InChI is InChI=1S/C9H16ClN/c10-7-3-6-9(8-11)4-1-2-5-9/h3,7H,1-2,4-6,8,11H2/b7-3+.
What are the key properties of [1-[(E)-3-chloroprop-2-enyl]cyclopentyl]methanamine?
[1-[(E)-3-chloroprop-2-enyl]cyclopentyl]methanamine has a molecular weight of 173.69 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-3-chloroprop-2-enyl]cyclopentyl]methanamine is sourced from PubChem (CID 130514671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).