[3-[cyclopropyl(prop-2-enyl)amino]-4-pyridinyl]methanol

C12H16N2O — CID 105066944

IUPAC[3-[cyclopropyl(prop-2-enyl)amino]-4-pyridinyl]methanol
SMILESC=CCN(c1cnccc1CO)C1CC1
InChIInChI=1S/C12H16N2O/c1-2-7-14(11-3-4-11)12-8-13-6-5-10(12)9-15/h2,5-6,8,11,15H,1,3-4,7,9H2
InChIKeyCHJXHCBSYBEWQR-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.73
Rot. Bonds5

About [3-[cyclopropyl(prop-2-enyl)amino]-4-pyridinyl]methanol

[3-[cyclopropyl(prop-2-enyl)amino]-4-pyridinyl]methanol (PubChem CID 105066944) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is [3-[cyclopropyl(prop-2-enyl)amino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[cyclopropyl(prop-2-enyl)amino]-4-pyridinyl]methanol
PubChem CID105066944
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name[3-[cyclopropyl(prop-2-enyl)amino]-4-pyridinyl]methanol
SMILESC=CCN(c1cnccc1CO)C1CC1
InChIInChI=1S/C12H16N2O/c1-2-7-14(11-3-4-11)12-8-13-6-5-10(12)9-15/h2,5-6,8,11,15H,1,3-4,7,9H2
InChIKeyCHJXHCBSYBEWQR-UHFFFAOYSA-N
XLogP1.73
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[cyclopropyl(methyl)amino]-4-pyridinyl]methanol
CID 105066695
4-(chloromethyl)-N-cyclopropyl-N-(2-methylpropyl)pyridin-3-amine
CID 105067384
[5-[cyclopropyl(prop-2-enyl)amino]pyrazin-2-yl]methanol
CID 107372934
[3-[cyclopropylmethyl(methyl)amino]-4-pyridinyl]methanol
CID 105066737
[3-[1-cyclopropylethyl(methyl)amino]-4-pyridinyl]methanol
CID 105066721
[3-(diethylamino)-4-pyridinyl]methanol
CID 105066644
[3-[cyclopropylmethyl(propan-2-yl)amino]-4-pyridinyl]methanol
CID 105066798
N-cyclopropyl-N-(cyclopropylmethyl)-4-(methylaminomethyl)pyridin-3-amine
CID 105074049
2-N-cyclopropyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 116797183
N-cyclopropyl-4-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-3-amine
CID 105073397
[3-(N-ethylanilino)-4-pyridinyl]methanol
CID 105066676
3-[(cyclopropylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine
CID 81250020

Frequently Asked Questions

What is the IUPAC name of [3-[cyclopropyl(prop-2-enyl)amino]-4-pyridinyl]methanol?
The IUPAC name of [3-[cyclopropyl(prop-2-enyl)amino]-4-pyridinyl]methanol (CID 105066944) is [3-[cyclopropyl(prop-2-enyl)amino]-4-pyridinyl]methanol.
What is the SMILES notation for [3-[cyclopropyl(prop-2-enyl)amino]-4-pyridinyl]methanol?
The canonical SMILES for [3-[cyclopropyl(prop-2-enyl)amino]-4-pyridinyl]methanol is C=CCN(c1cnccc1CO)C1CC1.
What is the InChIKey of [3-[cyclopropyl(prop-2-enyl)amino]-4-pyridinyl]methanol?
The InChIKey is CHJXHCBSYBEWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-7-14(11-3-4-11)12-8-13-6-5-10(12)9-15/h2,5-6,8,11,15H,1,3-4,7,9H2.
What are the key properties of [3-[cyclopropyl(prop-2-enyl)amino]-4-pyridinyl]methanol?
[3-[cyclopropyl(prop-2-enyl)amino]-4-pyridinyl]methanol has a molecular weight of 204.27 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[cyclopropyl(prop-2-enyl)amino]-4-pyridinyl]methanol is sourced from PubChem (CID 105066944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).