[4,4-dimethyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine

C15H29NO2 — CID 65052287

IUPAC[4,4-dimethyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(OCC2CCOCC2)CC1
InChIInChI=1S/C15H29NO2/c1-14(2)5-7-15(12-16,8-6-14)18-11-13-3-9-17-10-4-13/h13H,3-12,16H2,1-2H3
InChIKeyDZYZHCMCSKXTNQ-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.73
Rot. Bonds4

About [4,4-dimethyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine

[4,4-dimethyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine (PubChem CID 65052287) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is [4,4-dimethyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4,4-dimethyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine
PubChem CID65052287
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name[4,4-dimethyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(OCC2CCOCC2)CC1
InChIInChI=1S/C15H29NO2/c1-14(2)5-7-15(12-16,8-6-14)18-11-13-3-9-17-10-4-13/h13H,3-12,16H2,1-2H3
InChIKeyDZYZHCMCSKXTNQ-UHFFFAOYSA-N
XLogP2.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(cyclopropylmethoxy)oxan-4-yl]methanamine
CID 65051703
[1-(oxolan-3-ylmethoxy)cyclohexyl]methanamine
CID 62109560
[4,4-dimethyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methanamine
CID 65050953
[1-(oxolan-3-ylmethoxy)-4-propylcyclohexyl]methanamine
CID 55036245
[4,4-dimethyl-1-(oxan-4-ylmethyl)cyclohexyl]methanamine
CID 65391768
[1-(cyclohexylmethoxy)cyclohexyl]methanamine
CID 62383521
[1-(cyclopentylmethoxy)cycloheptyl]methanamine
CID 65051749
4-[[1-(bromomethyl)cyclohexyl]oxymethyl]oxane
CID 62382188
N-methyl-1-[4-methyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine
CID 62382213
2-methyl-N-[[1-(oxan-4-ylmethoxy)cyclopentyl]methyl]propan-2-amine
CID 55066245
[1-(3-fluoropropoxy)-4,4-dimethylcyclohexyl]methanamine
CID 81107245
[1-(cyclobutylmethoxy)-3-methylcyclopentyl]methanamine
CID 65458688

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine?
The IUPAC name of [4,4-dimethyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine (CID 65052287) is [4,4-dimethyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4,4-dimethyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine?
The canonical SMILES for [4,4-dimethyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine is CC1(C)CCC(CN)(OCC2CCOCC2)CC1.
What is the InChIKey of [4,4-dimethyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine?
The InChIKey is DZYZHCMCSKXTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-14(2)5-7-15(12-16,8-6-14)18-11-13-3-9-17-10-4-13/h13H,3-12,16H2,1-2H3.
What are the key properties of [4,4-dimethyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine?
[4,4-dimethyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine has a molecular weight of 255.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 65052287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).