3-[cyclobutyl-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol

C14H22N2O2 — CID 102864183

IUPAC3-[cyclobutyl-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol
SMILESC[C@H](O)c1ccc(N(CCCO)C2CCC2)nc1
InChIInChI=1S/C14H22N2O2/c1-11(18)12-6-7-14(15-10-12)16(8-3-9-17)13-4-2-5-13/h6-7,10-11,13,17-18H,2-5,8-9H2,1H3/t11-/m0/s1
InChIKeyIVLWBYGCOMOIOO-NSHDSACASA-N
MW250.34 g/mol
LogP1.88
Rot. Bonds6

About 3-[cyclobutyl-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol

3-[cyclobutyl-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol (PubChem CID 102864183) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[cyclobutyl-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol
PubChem CID102864183
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[cyclobutyl-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol
SMILESC[C@H](O)c1ccc(N(CCCO)C2CCC2)nc1
InChIInChI=1S/C14H22N2O2/c1-11(18)12-6-7-14(15-10-12)16(8-3-9-17)13-4-2-5-13/h6-7,10-11,13,17-18H,2-5,8-9H2,1H3/t11-/m0/s1
InChIKeyIVLWBYGCOMOIOO-NSHDSACASA-N
XLogP1.88
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclobutyl-(5-methyl-2-pyridinyl)amino]propan-1-ol
CID 102846717
3-[cyclobutyl-[4-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol
CID 102864161
6-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carbaldehyde
CID 102863594
2-[cyclobutyl-[5-[1-(ethylamino)ethyl]-2-pyridinyl]amino]ethanol
CID 102863556
3-[cyclobutyl-[5-(ethylaminomethyl)-2-pyridinyl]amino]propan-1-ol
CID 102864700
5-[[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]-methylamino]pentan-1-ol
CID 107200886
3-[2-bromo-N-cyclobutyl-4-[(1S)-1-hydroxyethyl]anilino]propan-1-ol
CID 102864100
N-(3-chloropropyl)-N-cyclobutyl-5-methylpyridin-2-amine
CID 102871477
2-[cyclopentyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 54994646
3-[(5-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
CID 102859337
3-[cyclobutyl(quinoxalin-2-yl)amino]propan-1-ol
CID 102846714
(1R)-1-[6-[2-hydroxyethyl(prop-2-enyl)amino]-3-pyridinyl]ethanol
CID 104869570

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol (CID 102864183) is 3-[cyclobutyl-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol is C[C@H](O)c1ccc(N(CCCO)C2CCC2)nc1.
What is the InChIKey of 3-[cyclobutyl-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol?
The InChIKey is IVLWBYGCOMOIOO-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(18)12-6-7-14(15-10-12)16(8-3-9-17)13-4-2-5-13/h6-7,10-11,13,17-18H,2-5,8-9H2,1H3/t11-/m0/s1.
What are the key properties of 3-[cyclobutyl-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol?
3-[cyclobutyl-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 102864183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).