1-[1-(aminomethyl)-3-methylcyclohexyl]oxy-3-propan-2-yloxypropan-2-ol

C14H29NO3 — CID 65052736

IUPAC1-[1-(aminomethyl)-3-methylcyclohexyl]oxy-3-propan-2-yloxypropan-2-ol
SMILESCC1CCCC(CN)(OCC(O)COC(C)C)C1
InChIInChI=1S/C14H29NO3/c1-11(2)17-8-13(16)9-18-14(10-15)6-4-5-12(3)7-14/h11-13,16H,4-10,15H2,1-3H3
InChIKeyXPGOQFHNEOUDRR-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.70
Rot. Bonds7

About 1-[1-(aminomethyl)-3-methylcyclohexyl]oxy-3-propan-2-yloxypropan-2-ol

1-[1-(aminomethyl)-3-methylcyclohexyl]oxy-3-propan-2-yloxypropan-2-ol (PubChem CID 65052736) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3-methylcyclohexyl]oxy-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3-methylcyclohexyl]oxy-3-propan-2-yloxypropan-2-ol
PubChem CID65052736
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name1-[1-(aminomethyl)-3-methylcyclohexyl]oxy-3-propan-2-yloxypropan-2-ol
SMILESCC1CCCC(CN)(OCC(O)COC(C)C)C1
InChIInChI=1S/C14H29NO3/c1-11(2)17-8-13(16)9-18-14(10-15)6-4-5-12(3)7-14/h11-13,16H,4-10,15H2,1-3H3
InChIKeyXPGOQFHNEOUDRR-UHFFFAOYSA-N
XLogP1.70
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(aminomethyl)-3-methylcyclohexyl]oxy-3-propan-2-yloxypropan-2-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-ethylcyclohexyl]oxy-3-propan-2-yloxypropan-2-ol
CID 65052309
(1-methoxy-3-methylcyclohexyl)methanamine
CID 15495984
4-[1-(aminomethyl)-3-methylcyclohexyl]oxybutan-1-ol
CID 65052251
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-ethylacetamide
CID 65052349
4-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N,N-dimethylbutanamide
CID 65052593
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-1-(azepan-1-yl)propan-1-one
CID 65052541
[3-methyl-1-(3-methylcyclohexyl)oxycyclohexyl]methanamine
CID 62109093
[1-(3-ethylsulfonylpropoxy)-3-methylcyclohexyl]methanamine
CID 65093651
N-[(3-methyl-1-propan-2-yloxycyclohexyl)methyl]ethanamine
CID 62110098
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-1-morpholin-4-ylethanone
CID 65052834
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-butylpropanamide
CID 65052926
3-[1-(aminomethyl)cycloheptyl]oxypropane-1,2-diol
CID 82842414

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3-methylcyclohexyl]oxy-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[1-(aminomethyl)-3-methylcyclohexyl]oxy-3-propan-2-yloxypropan-2-ol (CID 65052736) is 1-[1-(aminomethyl)-3-methylcyclohexyl]oxy-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-3-methylcyclohexyl]oxy-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[1-(aminomethyl)-3-methylcyclohexyl]oxy-3-propan-2-yloxypropan-2-ol is CC1CCCC(CN)(OCC(O)COC(C)C)C1.
What is the InChIKey of 1-[1-(aminomethyl)-3-methylcyclohexyl]oxy-3-propan-2-yloxypropan-2-ol?
The InChIKey is XPGOQFHNEOUDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-11(2)17-8-13(16)9-18-14(10-15)6-4-5-12(3)7-14/h11-13,16H,4-10,15H2,1-3H3.
What are the key properties of 1-[1-(aminomethyl)-3-methylcyclohexyl]oxy-3-propan-2-yloxypropan-2-ol?
1-[1-(aminomethyl)-3-methylcyclohexyl]oxy-3-propan-2-yloxypropan-2-ol has a molecular weight of 259.39 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-3-methylcyclohexyl]oxy-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 65052736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).