N-[1-(1-chlorocyclopropyl)ethyl]-3,3-dimethylcyclopentan-1-amine

C12H22ClN — CID 164650333

IUPACN-[1-(1-chlorocyclopropyl)ethyl]-3,3-dimethylcyclopentan-1-amine
SMILESCC(NC1CCC(C)(C)C1)C1(Cl)CC1
InChIInChI=1S/C12H22ClN/c1-9(12(13)6-7-12)14-10-4-5-11(2,3)8-10/h9-10,14H,4-8H2,1-3H3
InChIKeyITCVFIFYTRKJBP-UHFFFAOYSA-N
MW215.77 g/mol
LogP3.31
Rot. Bonds3

About N-[1-(1-chlorocyclopropyl)ethyl]-3,3-dimethylcyclopentan-1-amine

N-[1-(1-chlorocyclopropyl)ethyl]-3,3-dimethylcyclopentan-1-amine (PubChem CID 164650333) has the molecular formula C12H22ClN and a molecular weight of 215.77 g/mol. Its IUPAC name is N-[1-(1-chlorocyclopropyl)ethyl]-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(1-chlorocyclopropyl)ethyl]-3,3-dimethylcyclopentan-1-amine
PubChem CID164650333
Molecular FormulaC12H22ClN
Molecular Weight215.77 g/mol
Exact Mass215.14
IUPAC NameN-[1-(1-chlorocyclopropyl)ethyl]-3,3-dimethylcyclopentan-1-amine
SMILESCC(NC1CCC(C)(C)C1)C1(Cl)CC1
InChIInChI=1S/C12H22ClN/c1-9(12(13)6-7-12)14-10-4-5-11(2,3)8-10/h9-10,14H,4-8H2,1-3H3
InChIKeyITCVFIFYTRKJBP-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.77
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-cyclopentylethyl]-3,3-dimethylcyclopentan-1-amine
CID 81395492
(2R)-2-[(3,3-dimethylcyclopentyl)amino]propanamide
CID 130676096
(2S)-2-[(3,3-dimethylcyclopentyl)amino]-N-methylpropanamide
CID 130718522
methyl 2-[(3,3-dimethylcyclopentyl)amino]propanoate
CID 80705486
N-cyclopropyl-2-[(3,3-dimethylcyclopentyl)amino]propanamide
CID 115880300
N-[1-(1-chlorocyclopropyl)ethyl]-1-methylpyrrolidin-3-amine
CID 164650351
(2S)-2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutan-1-ol
CID 80705967
2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutanoic acid
CID 80704929
1-(azepan-1-yl)-2-[(3,3-dimethylcyclopentyl)amino]propan-1-one
CID 115880311
2-[(3,3-dimethylcyclopentyl)amino]-1-piperidin-1-ylpropan-1-one
CID 80705947
3,3-dimethyl-N-[(1R)-1-phenylethyl]cyclopentan-1-amine
CID 81350463
2-[(3,3-dimethylcyclopentyl)amino]-N-prop-2-enylpropanamide
CID 115880295

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-chlorocyclopropyl)ethyl]-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[1-(1-chlorocyclopropyl)ethyl]-3,3-dimethylcyclopentan-1-amine (CID 164650333) is N-[1-(1-chlorocyclopropyl)ethyl]-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(1-chlorocyclopropyl)ethyl]-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[1-(1-chlorocyclopropyl)ethyl]-3,3-dimethylcyclopentan-1-amine is CC(NC1CCC(C)(C)C1)C1(Cl)CC1.
What is the InChIKey of N-[1-(1-chlorocyclopropyl)ethyl]-3,3-dimethylcyclopentan-1-amine?
The InChIKey is ITCVFIFYTRKJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN/c1-9(12(13)6-7-12)14-10-4-5-11(2,3)8-10/h9-10,14H,4-8H2,1-3H3.
What are the key properties of N-[1-(1-chlorocyclopropyl)ethyl]-3,3-dimethylcyclopentan-1-amine?
N-[1-(1-chlorocyclopropyl)ethyl]-3,3-dimethylcyclopentan-1-amine has a molecular weight of 215.77 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-chlorocyclopropyl)ethyl]-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 164650333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).