1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol

C16H31NO3 — CID 60970222

IUPAC1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESCCC1CCC(NCC(O)COCC2CCCO2)CC1
InChIInChI=1S/C16H31NO3/c1-2-13-5-7-14(8-6-13)17-10-15(18)11-19-12-16-4-3-9-20-16/h13-18H,2-12H2,1H3
InChIKeyQWGZNFOMGKLAQQ-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.10
Rot. Bonds8

About 1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol

1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol (PubChem CID 60970222) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
PubChem CID60970222
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESCCC1CCC(NCC(O)COCC2CCCO2)CC1
InChIInChI=1S/C16H31NO3/c1-2-13-5-7-14(8-6-13)17-10-15(18)11-19-12-16-4-3-9-20-16/h13-18H,2-12H2,1H3
InChIKeyQWGZNFOMGKLAQQ-UHFFFAOYSA-N
XLogP2.10
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)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-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634305
1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634131
1-butoxy-3-[(4-ethylcyclohexyl)amino]propan-2-ol
CID 107262664
3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]butan-1-ol
CID 83177777
ethyl 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]acetate
CID 54937670
1-(3-ethylpiperidin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 110888545
(2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-ol
CID 100886577
1-(diethylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 110877523
(2S)-1-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 129461201
1-(cyclopropylamino)-3-ethoxypropan-2-ol
CID 43166145
1-[cyclopentyl(ethyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 110892631
2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N-methylpropanamide
CID 54950771

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol (CID 60970222) is 1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol is CCC1CCC(NCC(O)COCC2CCCO2)CC1.
What is the InChIKey of 1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The InChIKey is QWGZNFOMGKLAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-2-13-5-7-14(8-6-13)17-10-15(18)11-19-12-16-4-3-9-20-16/h13-18H,2-12H2,1H3.
What are the key properties of 1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol has a molecular weight of 285.43 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 60970222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).