1-(cyclopropylmethoxy)-3-[(3,4-dimethylcyclohexyl)amino]propan-2-ol

C15H29NO2 — CID 64742863

IUPAC1-(cyclopropylmethoxy)-3-[(3,4-dimethylcyclohexyl)amino]propan-2-ol
SMILESCC1CCC(NCC(O)COCC2CC2)CC1C
InChIInChI=1S/C15H29NO2/c1-11-3-6-14(7-12(11)2)16-8-15(17)10-18-9-13-4-5-13/h11-17H,3-10H2,1-2H3
InChIKeyCVVRWJYJHXPJKN-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.19
Rot. Bonds7

About 1-(cyclopropylmethoxy)-3-[(3,4-dimethylcyclohexyl)amino]propan-2-ol

1-(cyclopropylmethoxy)-3-[(3,4-dimethylcyclohexyl)amino]propan-2-ol (PubChem CID 64742863) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-[(3,4-dimethylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-3-[(3,4-dimethylcyclohexyl)amino]propan-2-ol
PubChem CID64742863
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-(cyclopropylmethoxy)-3-[(3,4-dimethylcyclohexyl)amino]propan-2-ol
SMILESCC1CCC(NCC(O)COCC2CC2)CC1C
InChIInChI=1S/C15H29NO2/c1-11-3-6-14(7-12(11)2)16-8-15(17)10-18-9-13-4-5-13/h11-17H,3-10H2,1-2H3
InChIKeyCVVRWJYJHXPJKN-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(cyclopropylmethoxy)-3-[(3,4-dimethylcyclohexyl)amino]propan-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-(cyclopropylmethoxy)-3-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 81334318
1-[(3,4-dimethylcyclohexyl)amino]-3-phenylmethoxypropan-2-ol
CID 64742870
1-(cyclopropylmethoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60909850
1-(cyclopropylmethoxy)-3-(thian-4-ylamino)propan-2-ol
CID 110911162
(2R)-1-[[(1S,3S,4R)-3,4-dimethylcyclohexyl]amino]propan-2-ol
CID 96732492
1-butoxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 107263143
1-(diethylamino)-3-[(3,4-dimethylcyclohexyl)amino]propan-2-ol
CID 64743461
1-(cyclopropylamino)-3-ethoxypropan-2-ol
CID 43166145
1-[(3,4-dimethylcyclohexyl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 64741127
1-(cyclopropylmethoxy)-3-[(2-ethylcyclohexyl)amino]propan-2-ol
CID 54955680
1-ethoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 63931912
1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol
CID 107262664

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-[(3,4-dimethylcyclohexyl)amino]propan-2-ol?
The IUPAC name of 1-(cyclopropylmethoxy)-3-[(3,4-dimethylcyclohexyl)amino]propan-2-ol (CID 64742863) is 1-(cyclopropylmethoxy)-3-[(3,4-dimethylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylmethoxy)-3-[(3,4-dimethylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for 1-(cyclopropylmethoxy)-3-[(3,4-dimethylcyclohexyl)amino]propan-2-ol is CC1CCC(NCC(O)COCC2CC2)CC1C.
What is the InChIKey of 1-(cyclopropylmethoxy)-3-[(3,4-dimethylcyclohexyl)amino]propan-2-ol?
The InChIKey is CVVRWJYJHXPJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-11-3-6-14(7-12(11)2)16-8-15(17)10-18-9-13-4-5-13/h11-17H,3-10H2,1-2H3.
What are the key properties of 1-(cyclopropylmethoxy)-3-[(3,4-dimethylcyclohexyl)amino]propan-2-ol?
1-(cyclopropylmethoxy)-3-[(3,4-dimethylcyclohexyl)amino]propan-2-ol has a molecular weight of 255.40 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-3-[(3,4-dimethylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 64742863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).