3-[(1R)-1-aminobut-3-enyl]pyridin-4-amine

C9H13N3 — CID 55293108

IUPAC3-[(1R)-1-aminobut-3-enyl]pyridin-4-amine
SMILESC=CC[C@@H](N)c1cnccc1N
InChIInChI=1S/C9H13N3/c1-2-3-8(10)7-6-12-5-4-9(7)11/h2,4-6,8H,1,3,10H2,(H2,11,12)/t8-/m1/s1
InChIKeyXZGQRTDGYWZAAH-MRVPVSSYSA-N
MW163.22 g/mol
LogP1.24
Rot. Bonds3

About 3-[(1R)-1-aminobut-3-enyl]pyridin-4-amine

3-[(1R)-1-aminobut-3-enyl]pyridin-4-amine (PubChem CID 55293108) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-[(1R)-1-aminobut-3-enyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[(1R)-1-aminobut-3-enyl]pyridin-4-amine
PubChem CID55293108
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name3-[(1R)-1-aminobut-3-enyl]pyridin-4-amine
SMILESC=CC[C@@H](N)c1cnccc1N
InChIInChI=1S/C9H13N3/c1-2-3-8(10)7-6-12-5-4-9(7)11/h2,4-6,8H,1,3,10H2,(H2,11,12)/t8-/m1/s1
InChIKeyXZGQRTDGYWZAAH-MRVPVSSYSA-N
XLogP1.24
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(methylamino)but-3-enyl]pyridin-4-amine
CID 116660648
3-[1-(ethylamino)but-3-enyl]pyridin-4-amine
CID 116660865
3-amino-3-(4-amino-3-pyridinyl)propanamide
CID 55255993
2-[(1R)-1-aminobut-3-enyl]-4-bromoaniline
CID 130740052
3-(1-amino-3-ethoxypropyl)pyridin-4-amine
CID 106815066
3-[(1R)-1-aminobut-3-enyl]-2-methylaniline
CID 55295901
3-[1-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-4-amine
CID 113305502
3-[1-amino-2-(cyclohexen-1-yl)ethyl]pyridin-4-amine
CID 116661348
1-pyrimidin-5-ylbut-3-en-1-amine
CID 55296439
3-(1-aminobut-3-enyl)-5-methylpyridin-2-amine
CID 55291746
(1R)-1-(2-fluoro-3-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171203354
(1R)-1-(2-methylsulfanylphenyl)but-3-en-1-amine
CID 55295815

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-aminobut-3-enyl]pyridin-4-amine?
The IUPAC name of 3-[(1R)-1-aminobut-3-enyl]pyridin-4-amine (CID 55293108) is 3-[(1R)-1-aminobut-3-enyl]pyridin-4-amine.
What is the SMILES notation for 3-[(1R)-1-aminobut-3-enyl]pyridin-4-amine?
The canonical SMILES for 3-[(1R)-1-aminobut-3-enyl]pyridin-4-amine is C=CC[C@@H](N)c1cnccc1N.
What is the InChIKey of 3-[(1R)-1-aminobut-3-enyl]pyridin-4-amine?
The InChIKey is XZGQRTDGYWZAAH-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-3-8(10)7-6-12-5-4-9(7)11/h2,4-6,8H,1,3,10H2,(H2,11,12)/t8-/m1/s1.
What are the key properties of 3-[(1R)-1-aminobut-3-enyl]pyridin-4-amine?
3-[(1R)-1-aminobut-3-enyl]pyridin-4-amine has a molecular weight of 163.22 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-aminobut-3-enyl]pyridin-4-amine is sourced from PubChem (CID 55293108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).