2-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine

C14H26ClNO — CID 102637528

IUPAC2-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine
SMILESCN(CC1CCC(C)(C)O1)C1CCCCC1Cl
InChIInChI=1S/C14H26ClNO/c1-14(2)9-8-11(17-14)10-16(3)13-7-5-4-6-12(13)15/h11-13H,4-10H2,1-3H3
InChIKeyGLFALWKQKYTTEO-UHFFFAOYSA-N
MW259.82 g/mol
LogP3.43
Rot. Bonds3

About 2-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine

2-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 102637528) has the molecular formula C14H26ClNO and a molecular weight of 259.82 g/mol. Its IUPAC name is 2-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine
PubChem CID102637528
Molecular FormulaC14H26ClNO
Molecular Weight259.82 g/mol
Exact Mass259.17
IUPAC Name2-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine
SMILESCN(CC1CCC(C)(C)O1)C1CCCCC1Cl
InChIInChI=1S/C14H26ClNO/c1-14(2)9-8-11(17-14)10-16(3)13-7-5-4-6-12(13)15/h11-13H,4-10H2,1-3H3
InChIKeyGLFALWKQKYTTEO-UHFFFAOYSA-N
XLogP3.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.82
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-butoxy-1-[(2S)-2-chlorocyclohexyl]pyrrolidine
CID 70669523
(3R)-3-butoxy-1-(2-chlorocyclohexyl)pyrrolidine
CID 89040194
N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclohexanamine
CID 63386651
2-(Chloromethyl)-1-(oxolan-2-ylmethyl)piperidine
CID 63386712
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 102637388
2-chloro-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine
CID 102637569
2-(Chloromethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidine
CID 102784850
N-(3-chloropropyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine
CID 102860508
N-(2-chloroethyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutanamine
CID 102861197
3-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 102900741
N-(2-chloroethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine
CID 102900761
2-(Chloromethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine
CID 102900769

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine (CID 102637528) is 2-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine is CN(CC1CCC(C)(C)O1)C1CCCCC1Cl.
What is the InChIKey of 2-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is GLFALWKQKYTTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO/c1-14(2)9-8-11(17-14)10-16(3)13-7-5-4-6-12(13)15/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine?
2-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 259.82 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 102637528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).