N-[[1-(chloromethyl)cyclopentyl]methyl]-1-cyclohexylmethanamine

C14H26ClN — CID 115363404

IUPACN-[[1-(chloromethyl)cyclopentyl]methyl]-1-cyclohexylmethanamine
SMILESClCC1(CNCC2CCCCC2)CCCC1
InChIInChI=1S/C14H26ClN/c15-11-14(8-4-5-9-14)12-16-10-13-6-2-1-3-7-13/h13,16H,1-12H2
InChIKeyOUNSJDHSSMLABO-UHFFFAOYSA-N
MW243.82 g/mol
LogP3.96
Rot. Bonds5

About N-[[1-(chloromethyl)cyclopentyl]methyl]-1-cyclohexylmethanamine

N-[[1-(chloromethyl)cyclopentyl]methyl]-1-cyclohexylmethanamine (PubChem CID 115363404) has the molecular formula C14H26ClN and a molecular weight of 243.82 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopentyl]methyl]-1-cyclohexylmethanamine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopentyl]methyl]-1-cyclohexylmethanamine
PubChem CID115363404
Molecular FormulaC14H26ClN
Molecular Weight243.82 g/mol
Exact Mass243.18
IUPAC NameN-[[1-(chloromethyl)cyclopentyl]methyl]-1-cyclohexylmethanamine
SMILESClCC1(CNCC2CCCCC2)CCCC1
InChIInChI=1S/C14H26ClN/c15-11-14(8-4-5-9-14)12-16-10-13-6-2-1-3-7-13/h13,16H,1-12H2
InChIKeyOUNSJDHSSMLABO-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.82
LogP ≤ 53.96
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-(oxan-4-yl)methanamine
CID 115363368
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine
CID 103969185
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-cyclopentylmethanamine
CID 114757546
1-[(cyclohexylmethylamino)methyl]cyclopentan-1-ol
CID 65107001
1-(chloromethyl)-1-(cyclohexylmethyl)cyclohexane
CID 66035796
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-cyclopentylpropanamide
CID 103969470
1-cyclopentyl-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822365
N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide
CID 103969527
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 103969104
N-(chloromethyl)-1-cyclopentylmethanamine
CID 115263105
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethoxypropan-1-amine
CID 103969068

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-1-cyclohexylmethanamine?
The IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-1-cyclohexylmethanamine (CID 115363404) is N-[[1-(chloromethyl)cyclopentyl]methyl]-1-cyclohexylmethanamine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopentyl]methyl]-1-cyclohexylmethanamine?
The canonical SMILES for N-[[1-(chloromethyl)cyclopentyl]methyl]-1-cyclohexylmethanamine is ClCC1(CNCC2CCCCC2)CCCC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopentyl]methyl]-1-cyclohexylmethanamine?
The InChIKey is OUNSJDHSSMLABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN/c15-11-14(8-4-5-9-14)12-16-10-13-6-2-1-3-7-13/h13,16H,1-12H2.
What are the key properties of N-[[1-(chloromethyl)cyclopentyl]methyl]-1-cyclohexylmethanamine?
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-cyclohexylmethanamine has a molecular weight of 243.82 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopentyl]methyl]-1-cyclohexylmethanamine is sourced from PubChem (CID 115363404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).