1-(chloromethyl)-3-methyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine

C14H26ClNO — CID 65030471

IUPAC1-(chloromethyl)-3-methyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCCC(CCl)(NCC2CCCCO2)C1
InChIInChI=1S/C14H26ClNO/c1-12-5-4-7-14(9-12,11-15)16-10-13-6-2-3-8-17-13/h12-13,16H,2-11H2,1H3
InChIKeyNOADCRAGGQANJA-UHFFFAOYSA-N
MW259.82 g/mol
LogP3.33
Rot. Bonds4

About 1-(chloromethyl)-3-methyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine

1-(chloromethyl)-3-methyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 65030471) has the molecular formula C14H26ClNO and a molecular weight of 259.82 g/mol. Its IUPAC name is 1-(chloromethyl)-3-methyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-3-methyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
PubChem CID65030471
Molecular FormulaC14H26ClNO
Molecular Weight259.82 g/mol
Exact Mass259.17
IUPAC Name1-(chloromethyl)-3-methyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCCC(CCl)(NCC2CCCCO2)C1
InChIInChI=1S/C14H26ClNO/c1-12-5-4-7-14(9-12,11-15)16-10-13-6-2-3-8-17-13/h12-13,16H,2-11H2,1H3
InChIKeyNOADCRAGGQANJA-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

1-(chloromethyl)-3-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 65030300
methyl 3-methyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylate
CID 54889565
1-(aminomethyl)-3-(2-methylpropyl)-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 107429090
1-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 65376736
1-(chloromethyl)-4-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 65165282
1-(chloromethyl)-3-methyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 107901067
1-(chloromethyl)-3-methyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 65030476
1-(chloromethyl)-3-methyl-N-octylcyclohexan-1-amine
CID 65029958
[3-methyl-1-[3-(oxolan-2-yl)propylamino]cyclohexyl]methanol
CID 65163745
N-methoxy-1-(oxan-2-yl)methanamine
CID 60702614
N-[1-(chloromethyl)-4-methylcyclohexyl]-3-(oxan-2-yl)propanamide
CID 114304322
1-(aminomethyl)-N,3-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 61431336

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-methyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(chloromethyl)-3-methyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine (CID 65030471) is 1-(chloromethyl)-3-methyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-3-methyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(chloromethyl)-3-methyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine is CC1CCCC(CCl)(NCC2CCCCO2)C1.
What is the InChIKey of 1-(chloromethyl)-3-methyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is NOADCRAGGQANJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO/c1-12-5-4-7-14(9-12,11-15)16-10-13-6-2-3-8-17-13/h12-13,16H,2-11H2,1H3.
What are the key properties of 1-(chloromethyl)-3-methyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine?
1-(chloromethyl)-3-methyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 259.82 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-methyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 65030471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).