1-chloro-2-(chloromethyl)-N-(cyclopentylmethyl)butan-2-amine

C11H21Cl2N — CID 107867141

IUPAC1-chloro-2-(chloromethyl)-N-(cyclopentylmethyl)butan-2-amine
SMILESCCC(CCl)(CCl)NCC1CCCC1
InChIInChI=1S/C11H21Cl2N/c1-2-11(8-12,9-13)14-7-10-5-3-4-6-10/h10,14H,2-9H2,1H3
InChIKeyCAFRORSHDBHVIE-UHFFFAOYSA-N
MW238.20 g/mol
LogP3.39
Rot. Bonds6

About 1-chloro-2-(chloromethyl)-N-(cyclopentylmethyl)butan-2-amine

1-chloro-2-(chloromethyl)-N-(cyclopentylmethyl)butan-2-amine (PubChem CID 107867141) has the molecular formula C11H21Cl2N and a molecular weight of 238.20 g/mol. Its IUPAC name is 1-chloro-2-(chloromethyl)-N-(cyclopentylmethyl)butan-2-amine.

Molecular Properties

Compound Name1-chloro-2-(chloromethyl)-N-(cyclopentylmethyl)butan-2-amine
PubChem CID107867141
Molecular FormulaC11H21Cl2N
Molecular Weight238.20 g/mol
Exact Mass237.11
IUPAC Name1-chloro-2-(chloromethyl)-N-(cyclopentylmethyl)butan-2-amine
SMILESCCC(CCl)(CCl)NCC1CCCC1
InChIInChI=1S/C11H21Cl2N/c1-2-11(8-12,9-13)14-7-10-5-3-4-6-10/h10,14H,2-9H2,1H3
InChIKeyCAFRORSHDBHVIE-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 53.39
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

1-(chloromethyl)-N-(2-fluoroethyl)cyclopentan-1-amine
CID 80695805
1-(chloromethyl)-N-(3-fluoropropyl)cyclopentan-1-amine
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1-(chloromethyl)-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine
CID 115518409
5-chloro-2-methyl-N-propan-2-ylpentan-1-amine;hydrochloride
CID 24183538
N-tert-butyl-2-chlorocyclopentan-1-amine;hydrochloride
CID 24194732
1-(Cyclopentylamino)-1-(chioromethyl)cyclopentane
CID 18316154
1-(Cyclohexylamino)-1-(chloromethyl)cyclopentane
CID 18316166
N-cyclopentylmethyl-N-(2-chloroethyl)ammonium chloride
CID 18316280
2-chloro-N-(cyclopentylmethyl)ethanamine
CID 18316281
1-(Cyclobutylamino)-1-(chloromethyl)cyclopentane
CID 18316529
1-(chloromethyl)-1-(cyclohexylamino)cyclopentane HCl salt
CID 69992905
1-(chloromethyl)-1-(cyclopentylamino)cyclopentane HCl salt
CID 69995819

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(chloromethyl)-N-(cyclopentylmethyl)butan-2-amine?
The IUPAC name of 1-chloro-2-(chloromethyl)-N-(cyclopentylmethyl)butan-2-amine (CID 107867141) is 1-chloro-2-(chloromethyl)-N-(cyclopentylmethyl)butan-2-amine.
What is the SMILES notation for 1-chloro-2-(chloromethyl)-N-(cyclopentylmethyl)butan-2-amine?
The canonical SMILES for 1-chloro-2-(chloromethyl)-N-(cyclopentylmethyl)butan-2-amine is CCC(CCl)(CCl)NCC1CCCC1.
What is the InChIKey of 1-chloro-2-(chloromethyl)-N-(cyclopentylmethyl)butan-2-amine?
The InChIKey is CAFRORSHDBHVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl2N/c1-2-11(8-12,9-13)14-7-10-5-3-4-6-10/h10,14H,2-9H2,1H3.
What are the key properties of 1-chloro-2-(chloromethyl)-N-(cyclopentylmethyl)butan-2-amine?
1-chloro-2-(chloromethyl)-N-(cyclopentylmethyl)butan-2-amine has a molecular weight of 238.20 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(chloromethyl)-N-(cyclopentylmethyl)butan-2-amine is sourced from PubChem (CID 107867141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).