N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(oxan-4-yl)methanamine

C13H24ClNO — CID 115363368

IUPACN-[[1-(chloromethyl)cyclopentyl]methyl]-1-(oxan-4-yl)methanamine
SMILESClCC1(CNCC2CCOCC2)CCCC1
InChIInChI=1S/C13H24ClNO/c14-10-13(5-1-2-6-13)11-15-9-12-3-7-16-8-4-12/h12,15H,1-11H2
InChIKeyDRFNBVCFIUEBPC-UHFFFAOYSA-N
MW245.79 g/mol
LogP2.80
Rot. Bonds5

About N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(oxan-4-yl)methanamine

N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(oxan-4-yl)methanamine (PubChem CID 115363368) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopentyl]methyl]-1-(oxan-4-yl)methanamine
PubChem CID115363368
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC NameN-[[1-(chloromethyl)cyclopentyl]methyl]-1-(oxan-4-yl)methanamine
SMILESClCC1(CNCC2CCOCC2)CCCC1
InChIInChI=1S/C13H24ClNO/c14-10-13(5-1-2-6-13)11-15-9-12-3-7-16-8-4-12/h12,15H,1-11H2
InChIKeyDRFNBVCFIUEBPC-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine
CID 103969185
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-cyclohexylmethanamine
CID 115363404
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-cyclohexylmethanamine
CID 115455707
4-[[1-(chloromethyl)cyclobutyl]methyl]oxane
CID 66033311
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(oxan-4-yl)methanamine
CID 115244778
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine
CID 115438163
N-[(1-ethylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine
CID 115887846
N-[(1-methoxycyclobutyl)methyl]-1-(oxan-4-yl)methanamine
CID 103991529
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 103969104
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-cyclopentylmethanamine
CID 114757546
N-[[1-(chloromethyl)cyclohexyl]methyl]oxolane-3-carboxamide
CID 103969555
2-methyl-3-[(oxan-4-ylmethylamino)methyl]oxolan-3-ol
CID 107268217

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(oxan-4-yl)methanamine (CID 115363368) is N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(oxan-4-yl)methanamine is ClCC1(CNCC2CCOCC2)CCCC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(oxan-4-yl)methanamine?
The InChIKey is DRFNBVCFIUEBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c14-10-13(5-1-2-6-13)11-15-9-12-3-7-16-8-4-12/h12,15H,1-11H2.
What are the key properties of N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(oxan-4-yl)methanamine?
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(oxan-4-yl)methanamine has a molecular weight of 245.79 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 115363368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).