(Z)-4-imino-3-piperidin-3-ylbut-2-en-2-amine

C9H17N3 — CID 139358391

IUPAC(Z)-4-imino-3-piperidin-3-ylbut-2-en-2-amine
SMILES[H]/N=C/C(=C(/C)N)C1CCCNC1
InChIInChI=1S/C9H17N3/c1-7(11)9(5-10)8-3-2-4-12-6-8/h5,8,10,12H,2-4,6,11H2,1H3/b9-7+,10-5+
InChIKeySOSAKQVBCDTUJD-JCVPOOLXSA-N
MW167.26 g/mol
LogP0.87
Rot. Bonds2

About (Z)-4-imino-3-piperidin-3-ylbut-2-en-2-amine

(Z)-4-imino-3-piperidin-3-ylbut-2-en-2-amine (PubChem CID 139358391) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (Z)-4-imino-3-piperidin-3-ylbut-2-en-2-amine.

Molecular Properties

Compound Name(Z)-4-imino-3-piperidin-3-ylbut-2-en-2-amine
PubChem CID139358391
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(Z)-4-imino-3-piperidin-3-ylbut-2-en-2-amine
SMILES[H]/N=C/C(=C(/C)N)C1CCCNC1
InChIInChI=1S/C9H17N3/c1-7(11)9(5-10)8-3-2-4-12-6-8/h5,8,10,12H,2-4,6,11H2,1H3/b9-7+,10-5+
InChIKeySOSAKQVBCDTUJD-JCVPOOLXSA-N
XLogP0.87
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3'-Bipyridine, 1',3,4,4',5,5',6,6'-octahydro-
CID 5373887
1,1,1-Trifluoro-3-(methyliminomethyl)-4-piperidin-4-ylbut-2-en-2-amine
CID 174047164
5-piperidin-2-ylidene-3,4-dihydro-2H-pyridine
CID 87404
4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidine
CID 58578279
4-(2,3-Dimethyl-2,3-dihydropyrrol-4-ylidene)piperidine
CID 90762439
(2E)-4-methyl-2-piperidin-3-ylidene-4,5-dihydro-3H-pyridine
CID 90918902
5-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91459524
4-(3-Methylhexan-2-ylidene)piperidin-3-imine
CID 123972348
2-Methyl-6-(piperidin-4-ylmethyl)-1-azacyclohepta-2,3,5,7-tetraene
CID 134406694
(Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine
CID 139357837
(Z)-4-imino-3-piperidin-3-ylpent-2-en-2-amine
CID 139358573
(Z)-2-(2,5-dimethylpiperidin-3-yl)-3-iminoprop-1-en-1-amine
CID 139358974

Frequently Asked Questions

What is the IUPAC name of (Z)-4-imino-3-piperidin-3-ylbut-2-en-2-amine?
The IUPAC name of (Z)-4-imino-3-piperidin-3-ylbut-2-en-2-amine (CID 139358391) is (Z)-4-imino-3-piperidin-3-ylbut-2-en-2-amine.
What is the SMILES notation for (Z)-4-imino-3-piperidin-3-ylbut-2-en-2-amine?
The canonical SMILES for (Z)-4-imino-3-piperidin-3-ylbut-2-en-2-amine is [H]/N=C/C(=C(/C)N)C1CCCNC1.
What is the InChIKey of (Z)-4-imino-3-piperidin-3-ylbut-2-en-2-amine?
The InChIKey is SOSAKQVBCDTUJD-JCVPOOLXSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(11)9(5-10)8-3-2-4-12-6-8/h5,8,10,12H,2-4,6,11H2,1H3/b9-7+,10-5+.
What are the key properties of (Z)-4-imino-3-piperidin-3-ylbut-2-en-2-amine?
(Z)-4-imino-3-piperidin-3-ylbut-2-en-2-amine has a molecular weight of 167.26 g/mol, XLogP of 0.87, 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-piperidin-3-ylbut-2-en-2-amine is sourced from PubChem (CID 139358391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).