4-methyl-2-(oxan-4-ylmethyl)cyclohexan-1-amine

C13H25NO — CID 62386076

IUPAC4-methyl-2-(oxan-4-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(N)C(CC2CCOCC2)C1
InChIInChI=1S/C13H25NO/c1-10-2-3-13(14)12(8-10)9-11-4-6-15-7-5-11/h10-13H,2-9,14H2,1H3
InChIKeyUCLYZOQCSQORMO-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.57
Rot. Bonds2

About 4-methyl-2-(oxan-4-ylmethyl)cyclohexan-1-amine

4-methyl-2-(oxan-4-ylmethyl)cyclohexan-1-amine (PubChem CID 62386076) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-methyl-2-(oxan-4-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-(oxan-4-ylmethyl)cyclohexan-1-amine
PubChem CID62386076
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-methyl-2-(oxan-4-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(N)C(CC2CCOCC2)C1
InChIInChI=1S/C13H25NO/c1-10-2-3-13(14)12(8-10)9-11-4-6-15-7-5-11/h10-13H,2-9,14H2,1H3
InChIKeyUCLYZOQCSQORMO-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-amino-5-methylcyclohexyl)methyl]-N-methyloxolan-3-amine
CID 82744259
2-[(5,5-dimethyloxolan-2-yl)methyl]-4-methylcyclohexan-1-amine
CID 116522604
4-methyl-2-(2-methylpropyl)cyclohexan-1-amine
CID 55134788
N-[(3-methylcyclopentyl)methyl]-1-(oxan-4-yl)methanamine
CID 107412308
4-methyl-2-(oxan-4-ylmethyl)cyclohexan-1-one
CID 62385899
2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine
CID 62382611
cis-(1R,2S)-4-methylcyclohexane-1,2-diamine
CID 101451140
2-hexyl-4-methylcyclohexan-1-amine
CID 55221311
2-dodecyl-4-methylcyclohexan-1-amine
CID 63403347
2,4-dimethylcyclohexan-1-amine
CID 14675373
1-(4-methylcyclohexyl)-2-(oxan-4-yl)ethanamine
CID 62604163
(1R)-3-methylcyclopentan-1-amine
CID 58346799

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(oxan-4-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-2-(oxan-4-ylmethyl)cyclohexan-1-amine (CID 62386076) is 4-methyl-2-(oxan-4-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-2-(oxan-4-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-2-(oxan-4-ylmethyl)cyclohexan-1-amine is CC1CCC(N)C(CC2CCOCC2)C1.
What is the InChIKey of 4-methyl-2-(oxan-4-ylmethyl)cyclohexan-1-amine?
The InChIKey is UCLYZOQCSQORMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10-2-3-13(14)12(8-10)9-11-4-6-15-7-5-11/h10-13H,2-9,14H2,1H3.
What are the key properties of 4-methyl-2-(oxan-4-ylmethyl)cyclohexan-1-amine?
4-methyl-2-(oxan-4-ylmethyl)cyclohexan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(oxan-4-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 62386076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).