(1R)-1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-3-pyridinyl]ethanol

C14H18N2O — CID 114056189

IUPAC(1R)-1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-3-pyridinyl]ethanol
SMILESC#CCN(CC1CC1)c1ncccc1[C@@H](C)O
InChIInChI=1S/C14H18N2O/c1-3-9-16(10-12-6-7-12)14-13(11(2)17)5-4-8-15-14/h1,4-5,8,11-12,17H,6-7,9-10H2,2H3/t11-/m1/s1
InChIKeyVBQRWTVHLUFWCV-LLVKDONJSA-N
MW230.31 g/mol
LogP1.98
Rot. Bonds5

About (1R)-1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-3-pyridinyl]ethanol

(1R)-1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-3-pyridinyl]ethanol (PubChem CID 114056189) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (1R)-1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-3-pyridinyl]ethanol
PubChem CID114056189
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(1R)-1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-3-pyridinyl]ethanol
SMILESC#CCN(CC1CC1)c1ncccc1[C@@H](C)O
InChIInChI=1S/C14H18N2O/c1-3-9-16(10-12-6-7-12)14-13(11(2)17)5-4-8-15-14/h1,4-5,8,11-12,17H,6-7,9-10H2,2H3/t11-/m1/s1
InChIKeyVBQRWTVHLUFWCV-LLVKDONJSA-N
XLogP1.98
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[2-[bis(cyclopropylmethyl)amino]-3-pyridinyl]ethanol
CID 114056124
(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
3-[ethyl-[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]amino]-2-methylpropanenitrile
CID 114055957
(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
6-[(1R)-1-aminoethyl]-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-3-amine
CID 83127891
N-cyclopropyl-2-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]acetamide
CID 114055994
(1S)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]ethanol
CID 83132171

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-3-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-3-pyridinyl]ethanol (CID 114056189) is (1R)-1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-3-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-3-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-3-pyridinyl]ethanol is C#CCN(CC1CC1)c1ncccc1[C@@H](C)O.
What is the InChIKey of (1R)-1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-3-pyridinyl]ethanol?
The InChIKey is VBQRWTVHLUFWCV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-9-16(10-12-6-7-12)14-13(11(2)17)5-4-8-15-14/h1,4-5,8,11-12,17H,6-7,9-10H2,2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-3-pyridinyl]ethanol?
(1R)-1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-3-pyridinyl]ethanol has a molecular weight of 230.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[cyclopropylmethyl(prop-2-ynyl)amino]-3-pyridinyl]ethanol is sourced from PubChem (CID 114056189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).