N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-cyclopentylmethanamine

C12H22ClN — CID 114757546

IUPACN-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-cyclopentylmethanamine
SMILESClCCC1(CNCC2CCCC2)CC1
InChIInChI=1S/C12H22ClN/c13-8-7-12(5-6-12)10-14-9-11-3-1-2-4-11/h11,14H,1-10H2
InChIKeyASWLJCKNVHOPKC-UHFFFAOYSA-N
MW215.77 g/mol
LogP3.18
Rot. Bonds6

About N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-cyclopentylmethanamine

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-cyclopentylmethanamine (PubChem CID 114757546) has the molecular formula C12H22ClN and a molecular weight of 215.77 g/mol. Its IUPAC name is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-cyclopentylmethanamine.

Molecular Properties

Compound NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-cyclopentylmethanamine
PubChem CID114757546
Molecular FormulaC12H22ClN
Molecular Weight215.77 g/mol
Exact Mass215.14
IUPAC NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-cyclopentylmethanamine
SMILESClCCC1(CNCC2CCCC2)CC1
InChIInChI=1S/C12H22ClN/c13-8-7-12(5-6-12)10-14-9-11-3-1-2-4-11/h11,14H,1-10H2
InChIKeyASWLJCKNVHOPKC-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.77
LogP ≤ 53.18
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-[[1-(chloromethyl)cyclopropyl]methyl]-1-cyclohexylmethanamine
CID 115455707
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-cyclohexylmethanamine
CID 115363404
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102900973
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-cyclohexylpropanamide
CID 114757993
N-(chloromethyl)-1-cyclopentylmethanamine
CID 115263105
1-cyclopentyl-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822365
1-[(cyclohexylmethylamino)methyl]cyclopentan-1-ol
CID 65107001
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(oxan-4-yl)methanamine
CID 115363368
[3-[(cyclopentylmethylamino)methyl]oxetan-3-yl]methanol
CID 115249002
N-[[1-(2-chloroethyl)cyclopropyl]methyl]propan-1-amine
CID 114757564
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(oxan-4-yl)methanamine
CID 115244778
1-[(cyclopentylmethylamino)methyl]cyclobutane-1-carboxylic acid
CID 115246539

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-cyclopentylmethanamine?
The IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-cyclopentylmethanamine (CID 114757546) is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-cyclopentylmethanamine.
What is the SMILES notation for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-cyclopentylmethanamine?
The canonical SMILES for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-cyclopentylmethanamine is ClCCC1(CNCC2CCCC2)CC1.
What is the InChIKey of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-cyclopentylmethanamine?
The InChIKey is ASWLJCKNVHOPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN/c13-8-7-12(5-6-12)10-14-9-11-3-1-2-4-11/h11,14H,1-10H2.
What are the key properties of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-cyclopentylmethanamine?
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-cyclopentylmethanamine has a molecular weight of 215.77 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-cyclopentylmethanamine is sourced from PubChem (CID 114757546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).