3,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine

C14H27NO — CID 64751038

IUPAC3,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CC(C)CC(NCC2CCCCO2)C1
InChIInChI=1S/C14H27NO/c1-11-7-12(2)9-13(8-11)15-10-14-5-3-4-6-16-14/h11-15H,3-10H2,1-2H3
InChIKeyWJIKZVJOZXDERZ-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds3

About 3,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine

3,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 64751038) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
PubChem CID64751038
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CC(C)CC(NCC2CCCCO2)C1
InChIInChI=1S/C14H27NO/c1-11-7-12(2)9-13(8-11)15-10-14-5-3-4-6-16-14/h11-15H,3-10H2,1-2H3
InChIKeyWJIKZVJOZXDERZ-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,6S)-2,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]oxan-4-amine
CID 97358325
2,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 64761101
3-(2-methylpropyl)-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 107428382
3-(4-methylphenyl)-N-(oxan-2-ylmethyl)cyclobutan-1-amine
CID 55014186
1-N-methyl-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-diamine
CID 117027418
2-methyl-N-(oxan-2-ylmethyl)cyclopentan-1-amine
CID 63278391
1-ethyl-N-(oxan-2-ylmethyl)piperidin-4-amine
CID 60694440
3-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylic acid
CID 117027700
2,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 63995122
N-methyl-1-[(2R)-oxolan-2-yl]methanamine;molecular hydrogen
CID 142806903
2,2-dimethyl-3-(oxan-2-ylmethylamino)cyclobutan-1-ol
CID 112633915
2-methyl-N-(oxan-2-ylmethyl)thian-3-amine
CID 79956591

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine (CID 64751038) is 3,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine is CC1CC(C)CC(NCC2CCCCO2)C1.
What is the InChIKey of 3,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is WJIKZVJOZXDERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11-7-12(2)9-13(8-11)15-10-14-5-3-4-6-16-14/h11-15H,3-10H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine?
3,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 64751038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).