[6-[4-(methylamino)but-1-enyl]-3-pyridinyl]methanol

C11H16N2O — CID 170495527

IUPAC[6-[4-(methylamino)but-1-enyl]-3-pyridinyl]methanol
SMILESCNCCC=Cc1ccc(CO)cn1
InChIInChI=1S/C11H16N2O/c1-12-7-3-2-4-11-6-5-10(9-14)8-13-11/h2,4-6,8,12,14H,3,7,9H2,1H3
InChIKeyAFIBXMSGKOBCFB-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.20
Rot. Bonds5

About [6-[4-(methylamino)but-1-enyl]-3-pyridinyl]methanol

[6-[4-(methylamino)but-1-enyl]-3-pyridinyl]methanol (PubChem CID 170495527) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is [6-[4-(methylamino)but-1-enyl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[4-(methylamino)but-1-enyl]-3-pyridinyl]methanol
PubChem CID170495527
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name[6-[4-(methylamino)but-1-enyl]-3-pyridinyl]methanol
SMILESCNCCC=Cc1ccc(CO)cn1
InChIInChI=1S/C11H16N2O/c1-12-7-3-2-4-11-6-5-10(9-14)8-13-11/h2,4-6,8,12,14H,3,7,9H2,1H3
InChIKeyAFIBXMSGKOBCFB-UHFFFAOYSA-N
XLogP1.20
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(hydroxymethyl)-2-pyridinyl]but-3-enenitrile
CID 170799440
3-[5-(hydroxymethyl)-2-pyridinyl]prop-2-enenitrile
CID 169483261
2-[4-(methylamino)but-1-enyl]pyrimidin-5-ol
CID 170495243
N-methyl-4-(6-methyl-3-pyridinyl)but-3-en-1-amine
CID 54149645
5-[4-(methylamino)but-1-enyl]pyrimidin-2-amine
CID 170495291
5-[4-(methylamino)but-1-enyl]pyridine-2-carboxylic acid
CID 170495822
4-(6-chloro-2-pyridinyl)-N-methylbut-3-en-1-amine
CID 170495248
4-[4-(aminomethyl)phenyl]-N-methylbut-3-en-1-amine
CID 170495473
N-methyl-4-(3-trimethylsilylphenyl)but-3-en-1-amine
CID 170495970
4-(2-chloro-4-pyridinyl)-N-methylbut-3-en-1-amine
CID 170495263
4-[(Z)-4-(methylamino)but-1-enyl]phenol
CID 117268085
2-amino-5-[4-(methylamino)but-1-enyl]pyridin-3-ol
CID 170495435

Frequently Asked Questions

What is the IUPAC name of [6-[4-(methylamino)but-1-enyl]-3-pyridinyl]methanol?
The IUPAC name of [6-[4-(methylamino)but-1-enyl]-3-pyridinyl]methanol (CID 170495527) is [6-[4-(methylamino)but-1-enyl]-3-pyridinyl]methanol.
What is the SMILES notation for [6-[4-(methylamino)but-1-enyl]-3-pyridinyl]methanol?
The canonical SMILES for [6-[4-(methylamino)but-1-enyl]-3-pyridinyl]methanol is CNCCC=Cc1ccc(CO)cn1.
What is the InChIKey of [6-[4-(methylamino)but-1-enyl]-3-pyridinyl]methanol?
The InChIKey is AFIBXMSGKOBCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-12-7-3-2-4-11-6-5-10(9-14)8-13-11/h2,4-6,8,12,14H,3,7,9H2,1H3.
What are the key properties of [6-[4-(methylamino)but-1-enyl]-3-pyridinyl]methanol?
[6-[4-(methylamino)but-1-enyl]-3-pyridinyl]methanol has a molecular weight of 192.26 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(methylamino)but-1-enyl]-3-pyridinyl]methanol is sourced from PubChem (CID 170495527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).