(1S)-1-[2-[bis(cyclopropylmethyl)amino]-3-pyridinyl]ethanol

C15H22N2O — CID 114056124

IUPAC(1S)-1-[2-[bis(cyclopropylmethyl)amino]-3-pyridinyl]ethanol
SMILESC[C@H](O)c1cccnc1N(CC1CC1)CC1CC1
InChIInChI=1S/C15H22N2O/c1-11(18)14-3-2-8-16-15(14)17(9-12-4-5-12)10-13-6-7-13/h2-3,8,11-13,18H,4-7,9-10H2,1H3/t11-/m0/s1
InChIKeyVSOUTQFGMKBUHL-NSHDSACASA-N
MW246.35 g/mol
LogP2.76
Rot. Bonds6

About (1S)-1-[2-[bis(cyclopropylmethyl)amino]-3-pyridinyl]ethanol

(1S)-1-[2-[bis(cyclopropylmethyl)amino]-3-pyridinyl]ethanol (PubChem CID 114056124) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (1S)-1-[2-[bis(cyclopropylmethyl)amino]-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[bis(cyclopropylmethyl)amino]-3-pyridinyl]ethanol
PubChem CID114056124
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(1S)-1-[2-[bis(cyclopropylmethyl)amino]-3-pyridinyl]ethanol
SMILESC[C@H](O)c1cccnc1N(CC1CC1)CC1CC1
InChIInChI=1S/C15H22N2O/c1-11(18)14-3-2-8-16-15(14)17(9-12-4-5-12)10-13-6-7-13/h2-3,8,11-13,18H,4-7,9-10H2,1H3/t11-/m0/s1
InChIKeyVSOUTQFGMKBUHL-NSHDSACASA-N
XLogP2.76
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-3-pyridinyl]ethanol
CID 114056189
(1S)-1-[2-(dibutylamino)-3-pyridinyl]ethanol
CID 114055796
1-[2-[cycloheptyl(methyl)amino]-3-pyridinyl]ethanol
CID 114055853
1-[2-[ethyl(2-methylbutyl)amino]-3-pyridinyl]ethanol
CID 114056156
1-[2-[cyclobutyl(2-hydroxyethyl)amino]-3-pyridinyl]ethanol
CID 114056274
(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
CID 63955607
(1S)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]ethanol
CID 114055774
(1S)-1-[2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]ethanol
CID 114055895
3-[ethyl-[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]amino]-2-methylpropanenitrile
CID 114055957
N-cyclopropyl-2-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]acetamide
CID 114055994
(1S)-1-[2-[cyclobutylmethyl(ethyl)amino]phenyl]ethanol
CID 107399653
3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-propan-2-ylamino]propan-1-ol
CID 114055963

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[bis(cyclopropylmethyl)amino]-3-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[2-[bis(cyclopropylmethyl)amino]-3-pyridinyl]ethanol (CID 114056124) is (1S)-1-[2-[bis(cyclopropylmethyl)amino]-3-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[bis(cyclopropylmethyl)amino]-3-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[2-[bis(cyclopropylmethyl)amino]-3-pyridinyl]ethanol is C[C@H](O)c1cccnc1N(CC1CC1)CC1CC1.
What is the InChIKey of (1S)-1-[2-[bis(cyclopropylmethyl)amino]-3-pyridinyl]ethanol?
The InChIKey is VSOUTQFGMKBUHL-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(18)14-3-2-8-16-15(14)17(9-12-4-5-12)10-13-6-7-13/h2-3,8,11-13,18H,4-7,9-10H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-[bis(cyclopropylmethyl)amino]-3-pyridinyl]ethanol?
(1S)-1-[2-[bis(cyclopropylmethyl)amino]-3-pyridinyl]ethanol has a molecular weight of 246.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[bis(cyclopropylmethyl)amino]-3-pyridinyl]ethanol is sourced from PubChem (CID 114056124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).