1-[[(2-ethyl-4-methylcyclohexyl)amino]methyl]cyclobutan-1-ol

C14H27NO — CID 115883491

IUPAC1-[[(2-ethyl-4-methylcyclohexyl)amino]methyl]cyclobutan-1-ol
SMILESCCC1CC(C)CCC1NCC1(O)CCC1
InChIInChI=1S/C14H27NO/c1-3-12-9-11(2)5-6-13(12)15-10-14(16)7-4-8-14/h11-13,15-16H,3-10H2,1-2H3
InChIKeyKVGCINYPGUXAEZ-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.71
Rot. Bonds4

About 1-[[(2-ethyl-4-methylcyclohexyl)amino]methyl]cyclobutan-1-ol

1-[[(2-ethyl-4-methylcyclohexyl)amino]methyl]cyclobutan-1-ol (PubChem CID 115883491) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[[(2-ethyl-4-methylcyclohexyl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[(2-ethyl-4-methylcyclohexyl)amino]methyl]cyclobutan-1-ol
PubChem CID115883491
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-[[(2-ethyl-4-methylcyclohexyl)amino]methyl]cyclobutan-1-ol
SMILESCCC1CC(C)CCC1NCC1(O)CCC1
InChIInChI=1S/C14H27NO/c1-3-12-9-11(2)5-6-13(12)15-10-14(16)7-4-8-14/h11-13,15-16H,3-10H2,1-2H3
InChIKeyKVGCINYPGUXAEZ-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[(2-ethyl-4-methylcyclohexyl)amino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 65107657
4-[[(2-ethylcyclohexyl)amino]methyl]oxan-4-ol
CID 81130333
4-[[(2,4-dimethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499440
1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclobutan-1-ol
CID 115692717
4-ethyl-1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 65116235
4-[[(2-ethylcyclohexyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499307
1-[[[(1S,2S)-2-methylcyclopentyl]amino]methyl]cyclohexan-1-ol
CID 95377558
3-[[(2,4-dimethylcyclohexyl)amino]methyl]oxolan-3-ol
CID 104532084
(3S)-3-[[[(1S,2S,4S)-2,4-dimethylcyclohexyl]amino]methyl]thiolan-3-ol
CID 99854347
2-[(2-ethyl-4-methylcyclohexyl)amino]propane-1,3-diol
CID 115883514
1-[[(3-ethylcyclopentyl)amino]methyl]cyclopentan-1-ol
CID 65105950
1-[[(2-aminocyclopropyl)amino]methyl]cyclopropan-1-ol
CID 138658974

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-ethyl-4-methylcyclohexyl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[(2-ethyl-4-methylcyclohexyl)amino]methyl]cyclobutan-1-ol (CID 115883491) is 1-[[(2-ethyl-4-methylcyclohexyl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[(2-ethyl-4-methylcyclohexyl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[(2-ethyl-4-methylcyclohexyl)amino]methyl]cyclobutan-1-ol is CCC1CC(C)CCC1NCC1(O)CCC1.
What is the InChIKey of 1-[[(2-ethyl-4-methylcyclohexyl)amino]methyl]cyclobutan-1-ol?
The InChIKey is KVGCINYPGUXAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-12-9-11(2)5-6-13(12)15-10-14(16)7-4-8-14/h11-13,15-16H,3-10H2,1-2H3.
What are the key properties of 1-[[(2-ethyl-4-methylcyclohexyl)amino]methyl]cyclobutan-1-ol?
1-[[(2-ethyl-4-methylcyclohexyl)amino]methyl]cyclobutan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-ethyl-4-methylcyclohexyl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 115883491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).