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

C12H22ClN — CID 115455707

IUPACN-[[1-(chloromethyl)cyclopropyl]methyl]-1-cyclohexylmethanamine
SMILESClCC1(CNCC2CCCCC2)CC1
InChIInChI=1S/C12H22ClN/c13-9-12(6-7-12)10-14-8-11-4-2-1-3-5-11/h11,14H,1-10H2
InChIKeyOYYVZSWNCLDJAX-UHFFFAOYSA-N
MW215.77 g/mol
LogP3.18
Rot. Bonds5

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

N-[[1-(chloromethyl)cyclopropyl]methyl]-1-cyclohexylmethanamine (PubChem CID 115455707) has the molecular formula C12H22ClN and a molecular weight of 215.77 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopropyl]methyl]-1-cyclohexylmethanamine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopropyl]methyl]-1-cyclohexylmethanamine
PubChem CID115455707
Molecular FormulaC12H22ClN
Molecular Weight215.77 g/mol
Exact Mass215.14
IUPAC NameN-[[1-(chloromethyl)cyclopropyl]methyl]-1-cyclohexylmethanamine
SMILESClCC1(CNCC2CCCCC2)CC1
InChIInChI=1S/C12H22ClN/c13-9-12(6-7-12)10-14-8-11-4-2-1-3-5-11/h11,14H,1-10H2
InChIKeyOYYVZSWNCLDJAX-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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)cyclopentyl]methyl]-1-cyclohexylmethanamine
CID 115363404
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-cyclopentylmethanamine
CID 114757546
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(oxan-4-yl)methanamine
CID 115363368
1-[(cyclohexylmethylamino)methyl]cyclopentan-1-ol
CID 65107001
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine
CID 103969185
N-(chloromethyl)-1-cyclopentylmethanamine
CID 115263105
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-cyclopentylpropanamide
CID 103969470
1-cyclopentyl-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822365
[3-[(cyclopentylmethylamino)methyl]oxetan-3-yl]methanol
CID 115249002
1-cyclohexyl-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107266985
1-(chloromethyl)-1-(cyclohexylmethyl)cyclohexane
CID 66035796
1-cyclopentyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine
CID 63420585

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-1-cyclohexylmethanamine?
The IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-1-cyclohexylmethanamine (CID 115455707) is N-[[1-(chloromethyl)cyclopropyl]methyl]-1-cyclohexylmethanamine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopropyl]methyl]-1-cyclohexylmethanamine?
The canonical SMILES for N-[[1-(chloromethyl)cyclopropyl]methyl]-1-cyclohexylmethanamine is ClCC1(CNCC2CCCCC2)CC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopropyl]methyl]-1-cyclohexylmethanamine?
The InChIKey is OYYVZSWNCLDJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN/c13-9-12(6-7-12)10-14-8-11-4-2-1-3-5-11/h11,14H,1-10H2.
What are the key properties of N-[[1-(chloromethyl)cyclopropyl]methyl]-1-cyclohexylmethanamine?
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-cyclohexylmethanamine has a molecular weight of 215.77 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopropyl]methyl]-1-cyclohexylmethanamine is sourced from PubChem (CID 115455707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).