N-[(E)-3-chloroprop-2-enyl]-2,3-dimethylcyclopentan-1-amine

C10H18ClN — CID 107899997

IUPACN-[(E)-3-chloroprop-2-enyl]-2,3-dimethylcyclopentan-1-amine
SMILESCC1CCC(NC/C=C/Cl)C1C
InChIInChI=1S/C10H18ClN/c1-8-4-5-10(9(8)2)12-7-3-6-11/h3,6,8-10,12H,4-5,7H2,1-2H3/b6-3+
InChIKeyATDUGFQGGDUKEF-ZZXKWVIFSA-N
MW187.71 g/mol
LogP2.76
Rot. Bonds3

About N-[(E)-3-chloroprop-2-enyl]-2,3-dimethylcyclopentan-1-amine

N-[(E)-3-chloroprop-2-enyl]-2,3-dimethylcyclopentan-1-amine (PubChem CID 107899997) has the molecular formula C10H18ClN and a molecular weight of 187.71 g/mol. Its IUPAC name is N-[(E)-3-chloroprop-2-enyl]-2,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(E)-3-chloroprop-2-enyl]-2,3-dimethylcyclopentan-1-amine
PubChem CID107899997
Molecular FormulaC10H18ClN
Molecular Weight187.71 g/mol
Exact Mass187.11
IUPAC NameN-[(E)-3-chloroprop-2-enyl]-2,3-dimethylcyclopentan-1-amine
SMILESCC1CCC(NC/C=C/Cl)C1C
InChIInChI=1S/C10H18ClN/c1-8-4-5-10(9(8)2)12-7-3-6-11/h3,6,8-10,12H,4-5,7H2,1-2H3/b6-3+
InChIKeyATDUGFQGGDUKEF-ZZXKWVIFSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.71
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-N-(3-phenylprop-2-enyl)cyclopentan-1-amine
CID 77050165
N-[(E)-3-chloroprop-2-enyl]-1,3-dimethylpiperidin-4-amine
CID 107900391
ethyl (E)-4-[(2,3-dimethylcyclopentyl)amino]but-2-enoate
CID 80547897
2,3-dimethyl-N-(2-methylprop-2-enyl)cyclopentan-1-amine
CID 64910022
2,3-dimethyl-N-prop-2-enylcyclohexan-1-amine
CID 60688769
N-[(E)-3-chloroprop-2-enyl]cyclobutanamine
CID 107899885
2,3-dimethyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 103605044
2-[[(E)-3-chloroprop-2-enyl]amino]cyclopentane-1-carbonitrile
CID 131232100
2-[[(2,3-dimethylcyclopentyl)amino]methyl]prop-2-enoic acid
CID 103254779
N-[(E)-3-chloroprop-2-enyl]-2,2-dimethylcyclopropan-1-amine
CID 107899850
N-[(E)-but-2-enyl]-2-methylcyclopropan-1-amine
CID 107898933
2-[(2,3-dimethylcyclopentyl)amino]-N-propylacetamide
CID 64907846

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-chloroprop-2-enyl]-2,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(E)-3-chloroprop-2-enyl]-2,3-dimethylcyclopentan-1-amine (CID 107899997) is N-[(E)-3-chloroprop-2-enyl]-2,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(E)-3-chloroprop-2-enyl]-2,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(E)-3-chloroprop-2-enyl]-2,3-dimethylcyclopentan-1-amine is CC1CCC(NC/C=C/Cl)C1C.
What is the InChIKey of N-[(E)-3-chloroprop-2-enyl]-2,3-dimethylcyclopentan-1-amine?
The InChIKey is ATDUGFQGGDUKEF-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H18ClN/c1-8-4-5-10(9(8)2)12-7-3-6-11/h3,6,8-10,12H,4-5,7H2,1-2H3/b6-3+.
What are the key properties of N-[(E)-3-chloroprop-2-enyl]-2,3-dimethylcyclopentan-1-amine?
N-[(E)-3-chloroprop-2-enyl]-2,3-dimethylcyclopentan-1-amine has a molecular weight of 187.71 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-chloroprop-2-enyl]-2,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 107899997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).