1-cyclohexyloxy-3-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol

C16H26N2O2 — CID 81404417

IUPAC1-cyclohexyloxy-3-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
SMILESC[C@H](NCC(O)COC1CCCCC1)c1cccnc1
InChIInChI=1S/C16H26N2O2/c1-13(14-6-5-9-17-10-14)18-11-15(19)12-20-16-7-3-2-4-8-16/h5-6,9-10,13,15-16,18-19H,2-4,7-8,11-12H2,1H3/t13-,15?/m0/s1
InChIKeyDTDIDCJNFVTHQU-CFMCSPIPSA-N
MW278.40 g/mol
LogP2.44
Rot. Bonds7

About 1-cyclohexyloxy-3-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol

1-cyclohexyloxy-3-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol (PubChem CID 81404417) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyloxy-3-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
PubChem CID81404417
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-cyclohexyloxy-3-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
SMILESC[C@H](NCC(O)COC1CCCCC1)c1cccnc1
InChIInChI=1S/C16H26N2O2/c1-13(14-6-5-9-17-10-14)18-11-15(19)12-20-16-7-3-2-4-8-16/h5-6,9-10,13,15-16,18-19H,2-4,7-8,11-12H2,1H3/t13-,15?/m0/s1
InChIKeyDTDIDCJNFVTHQU-CFMCSPIPSA-N
XLogP2.44
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyloxy-3-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol with MolForge

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Related Compounds

1-cyclohexyloxy-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81409866
1-(cyclopropylmethoxy)-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81404785
1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81405230
1-cyclopentyloxy-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 62840331
1-(4-methylcyclohexyl)oxy-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81393883
2-cyclopentyloxy-1-pyridin-3-ylethanamine
CID 141329792
1-phenylmethoxy-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81393836
(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 93082162
1-cyclopentyloxy-3-(1-phenylpropylamino)propan-2-ol
CID 62306417
2-cyclopropyl-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 115623727
1-[[(1S)-1-pyridin-3-ylethyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 81405111
1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-cyclohexyloxypropan-2-ol
CID 61469543

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol?
The IUPAC name of 1-cyclohexyloxy-3-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol (CID 81404417) is 1-cyclohexyloxy-3-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol.
What is the SMILES notation for 1-cyclohexyloxy-3-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol?
The canonical SMILES for 1-cyclohexyloxy-3-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol is C[C@H](NCC(O)COC1CCCCC1)c1cccnc1.
What is the InChIKey of 1-cyclohexyloxy-3-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol?
The InChIKey is DTDIDCJNFVTHQU-CFMCSPIPSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(14-6-5-9-17-10-14)18-11-15(19)12-20-16-7-3-2-4-8-16/h5-6,9-10,13,15-16,18-19H,2-4,7-8,11-12H2,1H3/t13-,15?/m0/s1.
What are the key properties of 1-cyclohexyloxy-3-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol?
1-cyclohexyloxy-3-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol has a molecular weight of 278.40 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol is sourced from PubChem (CID 81404417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).