1-[cyclopentyl(ethyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol

C15H29NO3 — CID 110892631

IUPAC1-[cyclopentyl(ethyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESCCN(CC(O)COCC1CCCO1)C1CCCC1
InChIInChI=1S/C15H29NO3/c1-2-16(13-6-3-4-7-13)10-14(17)11-18-12-15-8-5-9-19-15/h13-15,17H,2-12H2,1H3
InChIKeyBIADUFKEAPGOKF-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.81
Rot. Bonds8

About 1-[cyclopentyl(ethyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol

1-[cyclopentyl(ethyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol (PubChem CID 110892631) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-[cyclopentyl(ethyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[cyclopentyl(ethyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
PubChem CID110892631
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name1-[cyclopentyl(ethyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESCCN(CC(O)COCC1CCCO1)C1CCCC1
InChIInChI=1S/C15H29NO3/c1-2-16(13-6-3-4-7-13)10-14(17)11-18-12-15-8-5-9-19-15/h13-15,17H,2-12H2,1H3
InChIKeyBIADUFKEAPGOKF-UHFFFAOYSA-N
XLogP1.81
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(diethylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 110877523
1-chloro-3-(oxan-2-ylmethoxy)propan-2-ol
CID 112560571
1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60970222
1-(3-ethylpiperidin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 110888545
1-[cyclopentyl(ethyl)amino]butan-2-ol
CID 60886562
1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634305
1-(oxolan-2-ylmethoxy)-3-(N,2,3-trimethylanilino)propan-2-ol
CID 110900484
N,N-diethyl-3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]propanamide
CID 115585771
1-[cyclopentyl(ethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 110892630
1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634131
(2S)-1-(1-adamantylmethoxy)-3-[cyclohexyl(ethyl)amino]propan-2-ol
CID 41474577
(2R)-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 124799203

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopentyl(ethyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[cyclopentyl(ethyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol (CID 110892631) is 1-[cyclopentyl(ethyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[cyclopentyl(ethyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[cyclopentyl(ethyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol is CCN(CC(O)COCC1CCCO1)C1CCCC1.
What is the InChIKey of 1-[cyclopentyl(ethyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The InChIKey is BIADUFKEAPGOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-2-16(13-6-3-4-7-13)10-14(17)11-18-12-15-8-5-9-19-15/h13-15,17H,2-12H2,1H3.
What are the key properties of 1-[cyclopentyl(ethyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
1-[cyclopentyl(ethyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol has a molecular weight of 271.40 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopentyl(ethyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 110892631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).