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

C14H27NO — CID 64761101

IUPAC2,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(C)C(NCC2CCCCO2)C1
InChIInChI=1S/C14H27NO/c1-11-6-7-12(2)14(9-11)15-10-13-5-3-4-8-16-13/h11-15H,3-10H2,1-2H3
InChIKeyWGEMDVVNBKJMDJ-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds3

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

2,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 64761101) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
PubChem CID64761101
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(C)C(NCC2CCCCO2)C1
InChIInChI=1S/C14H27NO/c1-11-6-7-12(2)14(9-11)15-10-13-5-3-4-8-16-13/h11-15H,3-10H2,1-2H3
InChIKeyWGEMDVVNBKJMDJ-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

2,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 63995122
2-methyl-N-(oxan-2-ylmethyl)cyclopentan-1-amine
CID 63278391
3,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 64751038
2,3-dimethyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 64908944
2-methyl-N-(oxan-2-ylmethyl)thian-3-amine
CID 79956591
1,2,5-trimethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine
CID 43665432
(2R,3R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]oxolan-3-amine
CID 97358136
2-methoxy-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 43765488
(2S,6S)-2,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]oxan-4-amine
CID 97358325
cis-(1R,2R)-2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]cyclohexan-1-amine
CID 124710143
1-(3-methylcyclopentyl)-N-(oxolan-2-ylmethyl)methanamine
CID 107411733
[2-(oxan-2-ylmethylamino)cyclopentyl]methanol
CID 106360917

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine (CID 64761101) is 2,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine is CC1CCC(C)C(NCC2CCCCO2)C1.
What is the InChIKey of 2,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is WGEMDVVNBKJMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11-6-7-12(2)14(9-11)15-10-13-5-3-4-8-16-13/h11-15H,3-10H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine?
2,5-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 2,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 64761101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).