1-(chloromethyl)-4-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine

C14H26ClNO — CID 65165282

IUPAC1-(chloromethyl)-4-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(CCl)(NCCC2CCCO2)CC1
InChIInChI=1S/C14H26ClNO/c1-12-4-7-14(11-15,8-5-12)16-9-6-13-3-2-10-17-13/h12-13,16H,2-11H2,1H3
InChIKeyABZWQXAGOCCLKW-UHFFFAOYSA-N
MW259.82 g/mol
LogP3.33
Rot. Bonds5

About 1-(chloromethyl)-4-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine

1-(chloromethyl)-4-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine (PubChem CID 65165282) has the molecular formula C14H26ClNO and a molecular weight of 259.82 g/mol. Its IUPAC name is 1-(chloromethyl)-4-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-4-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
PubChem CID65165282
Molecular FormulaC14H26ClNO
Molecular Weight259.82 g/mol
Exact Mass259.17
IUPAC Name1-(chloromethyl)-4-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(CCl)(NCCC2CCCO2)CC1
InChIInChI=1S/C14H26ClNO/c1-12-4-7-14(11-15,8-5-12)16-9-6-13-3-2-10-17-13/h12-13,16H,2-11H2,1H3
InChIKeyABZWQXAGOCCLKW-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.82
LogP ≤ 53.33
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)-4-methylcyclohexyl]-3-(oxan-2-yl)propanamide
CID 114304322
1-(chloromethyl)-3-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 65030300
1-(chloromethyl)-N-(3-fluoropropyl)-4-methylcyclohexan-1-amine
CID 81114643
[3-methyl-1-[3-(oxolan-2-yl)propylamino]cyclohexyl]methanol
CID 65163745
1-(chloromethyl)-3-methyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 65030471
3-(chloromethyl)-2-methyl-3-(oxolan-2-ylmethyl)oxolane
CID 114535731
1-(chloromethyl)-4-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 106457696
4-methyl-1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol
CID 65166935
1-[2-(oxolan-2-yl)ethylamino]cyclobutane-1-carboxylic acid
CID 81167545
N-[(1-methylcyclopentyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 65163534
1-chloro-N-[2-(oxolan-2-yl)ethyl]butan-2-amine
CID 65165393
N,N-dimethyl-1-[[2-(oxolan-2-yl)ethylamino]methyl]cyclobutan-1-amine
CID 105416779

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 1-(chloromethyl)-4-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine (CID 65165282) is 1-(chloromethyl)-4-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-4-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-(chloromethyl)-4-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine is CC1CCC(CCl)(NCCC2CCCO2)CC1.
What is the InChIKey of 1-(chloromethyl)-4-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine?
The InChIKey is ABZWQXAGOCCLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO/c1-12-4-7-14(11-15,8-5-12)16-9-6-13-3-2-10-17-13/h12-13,16H,2-11H2,1H3.
What are the key properties of 1-(chloromethyl)-4-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine?
1-(chloromethyl)-4-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine has a molecular weight of 259.82 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 65165282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).