6-methyl-5-[4-(methylamino)but-1-enyl]pyridin-3-amine

C11H17N3 — CID 170495405

IUPAC6-methyl-5-[4-(methylamino)but-1-enyl]pyridin-3-amine
SMILESCNCCC=Cc1cc(N)cnc1C
InChIInChI=1S/C11H17N3/c1-9-10(5-3-4-6-13-2)7-11(12)8-14-9/h3,5,7-8,13H,4,6,12H2,1-2H3
InChIKeyHXHNHIRPLFVXHM-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.59
Rot. Bonds4

About 6-methyl-5-[4-(methylamino)but-1-enyl]pyridin-3-amine

6-methyl-5-[4-(methylamino)but-1-enyl]pyridin-3-amine (PubChem CID 170495405) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 6-methyl-5-[4-(methylamino)but-1-enyl]pyridin-3-amine.

Molecular Properties

Compound Name6-methyl-5-[4-(methylamino)but-1-enyl]pyridin-3-amine
PubChem CID170495405
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name6-methyl-5-[4-(methylamino)but-1-enyl]pyridin-3-amine
SMILESCNCCC=Cc1cc(N)cnc1C
InChIInChI=1S/C11H17N3/c1-9-10(5-3-4-6-13-2)7-11(12)8-14-9/h3,5,7-8,13H,4,6,12H2,1-2H3
InChIKeyHXHNHIRPLFVXHM-UHFFFAOYSA-N
XLogP1.59
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.59
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

5-(3-aminoprop-1-enyl)-6-methylpyridin-3-amine
CID 169463243
5-(3-azidoprop-1-enyl)-6-methylpyridin-3-amine
CID 169461413
5-[4-(methylamino)but-1-enyl]pyrimidin-2-amine
CID 170495291
6-chloro-5-[3-(methylamino)prop-1-enyl]pyridin-3-amine
CID 169473240
(E)-N-methyl-4-(1-methyl-9H-pyrido[3,4-b]indol-4-yl)but-3-en-1-amine
CID 175664989
2-amino-5-[4-(methylamino)but-1-enyl]pyridin-3-ol
CID 170495435
5-methyl-3-[4-(methylamino)but-1-enyl]pyridine-2-carboxylic acid
CID 170496168
3-[4-(methylamino)but-1-enyl]-4-nitroaniline
CID 170496098
N-methyl-4-(6-methyl-5-nitro-3-pyridinyl)but-3-en-1-amine
CID 170496101
4-(5-fluoro-2-methoxy-3-pyridinyl)-N-methylbut-3-en-1-amine
CID 170495839
N-methyl-4-(6-methyl-3-pyridinyl)but-3-en-1-amine
CID 54149645
4-chloro-2-[4-(methylamino)but-1-enyl]aniline
CID 170495448

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[4-(methylamino)but-1-enyl]pyridin-3-amine?
The IUPAC name of 6-methyl-5-[4-(methylamino)but-1-enyl]pyridin-3-amine (CID 170495405) is 6-methyl-5-[4-(methylamino)but-1-enyl]pyridin-3-amine.
What is the SMILES notation for 6-methyl-5-[4-(methylamino)but-1-enyl]pyridin-3-amine?
The canonical SMILES for 6-methyl-5-[4-(methylamino)but-1-enyl]pyridin-3-amine is CNCCC=Cc1cc(N)cnc1C.
What is the InChIKey of 6-methyl-5-[4-(methylamino)but-1-enyl]pyridin-3-amine?
The InChIKey is HXHNHIRPLFVXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-9-10(5-3-4-6-13-2)7-11(12)8-14-9/h3,5,7-8,13H,4,6,12H2,1-2H3.
What are the key properties of 6-methyl-5-[4-(methylamino)but-1-enyl]pyridin-3-amine?
6-methyl-5-[4-(methylamino)but-1-enyl]pyridin-3-amine has a molecular weight of 191.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[4-(methylamino)but-1-enyl]pyridin-3-amine is sourced from PubChem (CID 170495405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).