4-[1-(aminomethyl)-4-propylcyclohexyl]oxan-4-ol

C15H29NO2 — CID 79135491

IUPAC4-[1-(aminomethyl)-4-propylcyclohexyl]oxan-4-ol
SMILESCCCC1CCC(CN)(C2(O)CCOCC2)CC1
InChIInChI=1S/C15H29NO2/c1-2-3-13-4-6-14(12-16,7-5-13)15(17)8-10-18-11-9-15/h13,17H,2-12,16H2,1H3
InChIKeyVGKJSFULFKRZJA-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.46
Rot. Bonds4

About 4-[1-(aminomethyl)-4-propylcyclohexyl]oxan-4-ol

4-[1-(aminomethyl)-4-propylcyclohexyl]oxan-4-ol (PubChem CID 79135491) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 4-[1-(aminomethyl)-4-propylcyclohexyl]oxan-4-ol.

Molecular Properties

Compound Name4-[1-(aminomethyl)-4-propylcyclohexyl]oxan-4-ol
PubChem CID79135491
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name4-[1-(aminomethyl)-4-propylcyclohexyl]oxan-4-ol
SMILESCCCC1CCC(CN)(C2(O)CCOCC2)CC1
InChIInChI=1S/C15H29NO2/c1-2-3-13-4-6-14(12-16,7-5-13)15(17)8-10-18-11-9-15/h13,17H,2-12,16H2,1H3
InChIKeyVGKJSFULFKRZJA-UHFFFAOYSA-N
XLogP2.46
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[1-(aminomethyl)-4-propylcyclohexyl]oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(aminomethyl)-4-propylcyclohexyl]-4-methylcyclohexan-1-ol
CID 79128311
1-[1-(aminomethyl)-4-propylcyclohexyl]-3,5-dimethylcyclohexan-1-ol
CID 79123452
1-[1-(aminomethyl)cyclooctyl]-4-propylcyclohexan-1-ol
CID 80603364
4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol
CID 79136047
1-[1-(aminomethyl)-3-methylcyclohexyl]-4-propylcyclohexan-1-ol
CID 79126743
4-[4-(aminomethyl)oxan-4-yl]-2-propyloxan-4-ol
CID 79125186
2-[1-(aminomethyl)-4-propylcyclohexyl]-1,3-dihydroinden-2-ol
CID 79124965
3-[1-(aminomethyl)-4-propylcyclohexyl]-1,5-dimethylpyrrolidin-3-ol
CID 81467761
1-[1-(aminomethyl)-4-propylcyclohexyl]-3-cyclopropylcyclohexan-1-ol
CID 79125197
4-[1-(aminomethyl)cyclohexyl]oxan-4-ol
CID 79135136
1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol
CID 70888853
8-[1-(aminomethyl)-4-ethylcyclohexyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 79123696

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)-4-propylcyclohexyl]oxan-4-ol?
The IUPAC name of 4-[1-(aminomethyl)-4-propylcyclohexyl]oxan-4-ol (CID 79135491) is 4-[1-(aminomethyl)-4-propylcyclohexyl]oxan-4-ol.
What is the SMILES notation for 4-[1-(aminomethyl)-4-propylcyclohexyl]oxan-4-ol?
The canonical SMILES for 4-[1-(aminomethyl)-4-propylcyclohexyl]oxan-4-ol is CCCC1CCC(CN)(C2(O)CCOCC2)CC1.
What is the InChIKey of 4-[1-(aminomethyl)-4-propylcyclohexyl]oxan-4-ol?
The InChIKey is VGKJSFULFKRZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-3-13-4-6-14(12-16,7-5-13)15(17)8-10-18-11-9-15/h13,17H,2-12,16H2,1H3.
What are the key properties of 4-[1-(aminomethyl)-4-propylcyclohexyl]oxan-4-ol?
4-[1-(aminomethyl)-4-propylcyclohexyl]oxan-4-ol has a molecular weight of 255.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)-4-propylcyclohexyl]oxan-4-ol is sourced from PubChem (CID 79135491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).