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

C15H29NO — CID 65391768

IUPAC[4,4-dimethyl-1-(oxan-4-ylmethyl)cyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(CC2CCOCC2)CC1
InChIInChI=1S/C15H29NO/c1-14(2)5-7-15(12-16,8-6-14)11-13-3-9-17-10-4-13/h13H,3-12,16H2,1-2H3
InChIKeyNQUNHTBFZCDEKQ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.35
Rot. Bonds3

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

[4,4-dimethyl-1-(oxan-4-ylmethyl)cyclohexyl]methanamine (PubChem CID 65391768) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is [4,4-dimethyl-1-(oxan-4-ylmethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4,4-dimethyl-1-(oxan-4-ylmethyl)cyclohexyl]methanamine
PubChem CID65391768
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name[4,4-dimethyl-1-(oxan-4-ylmethyl)cyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(CC2CCOCC2)CC1
InChIInChI=1S/C15H29NO/c1-14(2)5-7-15(12-16,8-6-14)11-13-3-9-17-10-4-13/h13H,3-12,16H2,1-2H3
InChIKeyNQUNHTBFZCDEKQ-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(cyclopentylmethyl)oxan-4-yl]methanamine
CID 62905905
[1-(cyclopentylmethyl)cyclopropyl]methanamine
CID 66024631
[4-(cyclohexylmethyl)oxan-4-yl]methanamine
CID 62906945
[4,4-dimethyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine
CID 65052287
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(oxan-4-yl)ethanamine
CID 115244358
3-methyl-3-(oxan-4-ylmethyl)cyclopentan-1-amine
CID 116538676
2,4,4-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
CID 81313760
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(oxan-4-yl)ethanamine
CID 115245941
4-[[1-(chloromethyl)cyclobutyl]methyl]oxane
CID 66033311
1-(oxan-4-ylmethyl)cyclobutan-1-amine
CID 65196383
[3-(cyclopentylmethyl)oxetan-3-yl]methanamine
CID 116930584
3,3-dimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
CID 65153619

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-1-(oxan-4-ylmethyl)cyclohexyl]methanamine?
The IUPAC name of [4,4-dimethyl-1-(oxan-4-ylmethyl)cyclohexyl]methanamine (CID 65391768) is [4,4-dimethyl-1-(oxan-4-ylmethyl)cyclohexyl]methanamine.
What is the SMILES notation for [4,4-dimethyl-1-(oxan-4-ylmethyl)cyclohexyl]methanamine?
The canonical SMILES for [4,4-dimethyl-1-(oxan-4-ylmethyl)cyclohexyl]methanamine is CC1(C)CCC(CN)(CC2CCOCC2)CC1.
What is the InChIKey of [4,4-dimethyl-1-(oxan-4-ylmethyl)cyclohexyl]methanamine?
The InChIKey is NQUNHTBFZCDEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-14(2)5-7-15(12-16,8-6-14)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-ylmethyl)cyclohexyl]methanamine?
[4,4-dimethyl-1-(oxan-4-ylmethyl)cyclohexyl]methanamine has a molecular weight of 239.40 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-1-(oxan-4-ylmethyl)cyclohexyl]methanamine is sourced from PubChem (CID 65391768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).