(Z)-4-imino-3-(1,2,3,6-tetrahydropyridin-5-yl)but-2-en-2-amine

C9H15N3 — CID 139358447

IUPAC(Z)-4-imino-3-(1,2,3,6-tetrahydropyridin-5-yl)but-2-en-2-amine
SMILES[H]/N=C/C(C1=CCCNC1)=C(/C)N
InChIInChI=1S/C9H15N3/c1-7(11)9(5-10)8-3-2-4-12-6-8/h3,5,10,12H,2,4,6,11H2,1H3/b9-7+,10-5+
InChIKeyIOGPPCVITZAAHC-JCVPOOLXSA-N
MW165.24 g/mol
LogP0.79
Rot. Bonds2

About (Z)-4-imino-3-(1,2,3,6-tetrahydropyridin-5-yl)but-2-en-2-amine

(Z)-4-imino-3-(1,2,3,6-tetrahydropyridin-5-yl)but-2-en-2-amine (PubChem CID 139358447) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (Z)-4-imino-3-(1,2,3,6-tetrahydropyridin-5-yl)but-2-en-2-amine.

Molecular Properties

Compound Name(Z)-4-imino-3-(1,2,3,6-tetrahydropyridin-5-yl)but-2-en-2-amine
PubChem CID139358447
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(Z)-4-imino-3-(1,2,3,6-tetrahydropyridin-5-yl)but-2-en-2-amine
SMILES[H]/N=C/C(C1=CCCNC1)=C(/C)N
InChIInChI=1S/C9H15N3/c1-7(11)9(5-10)8-3-2-4-12-6-8/h3,5,10,12H,2,4,6,11H2,1H3/b9-7+,10-5+
InChIKeyIOGPPCVITZAAHC-JCVPOOLXSA-N
XLogP0.79
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-imino-3-(1,2,3,6-tetrahydropyridin-5-yl)but-2-en-2-amine?
The IUPAC name of (Z)-4-imino-3-(1,2,3,6-tetrahydropyridin-5-yl)but-2-en-2-amine (CID 139358447) is (Z)-4-imino-3-(1,2,3,6-tetrahydropyridin-5-yl)but-2-en-2-amine.
What is the SMILES notation for (Z)-4-imino-3-(1,2,3,6-tetrahydropyridin-5-yl)but-2-en-2-amine?
The canonical SMILES for (Z)-4-imino-3-(1,2,3,6-tetrahydropyridin-5-yl)but-2-en-2-amine is [H]/N=C/C(C1=CCCNC1)=C(/C)N.
What is the InChIKey of (Z)-4-imino-3-(1,2,3,6-tetrahydropyridin-5-yl)but-2-en-2-amine?
The InChIKey is IOGPPCVITZAAHC-JCVPOOLXSA-N. The full InChI is InChI=1S/C9H15N3/c1-7(11)9(5-10)8-3-2-4-12-6-8/h3,5,10,12H,2,4,6,11H2,1H3/b9-7+,10-5+.
What are the key properties of (Z)-4-imino-3-(1,2,3,6-tetrahydropyridin-5-yl)but-2-en-2-amine?
(Z)-4-imino-3-(1,2,3,6-tetrahydropyridin-5-yl)but-2-en-2-amine has a molecular weight of 165.24 g/mol, XLogP of 0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imino-3-(1,2,3,6-tetrahydropyridin-5-yl)but-2-en-2-amine is sourced from PubChem (CID 139358447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).