(2Z)-2-butan-2-ylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine

C12H20N2 — CID 142833341

IUPAC(2Z)-2-butan-2-ylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine
SMILESC/C=C\N=C1/CCCN/C1=C(/C)CC
InChIInChI=1S/C12H20N2/c1-4-8-13-11-7-6-9-14-12(11)10(3)5-2/h4,8,14H,5-7,9H2,1-3H3/b8-4-,12-10-,13-11+
InChIKeyNOQVBKBXEYUDQV-VJRASUNBSA-N
MW192.31 g/mol
LogP3.03
Rot. Bonds2

About (2Z)-2-butan-2-ylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine

(2Z)-2-butan-2-ylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine (PubChem CID 142833341) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (2Z)-2-butan-2-ylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine.

Molecular Properties

Compound Name(2Z)-2-butan-2-ylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine
PubChem CID142833341
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(2Z)-2-butan-2-ylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine
SMILESC/C=C\N=C1/CCCN/C1=C(/C)CC
InChIInChI=1S/C12H20N2/c1-4-8-13-11-7-6-9-14-12(11)10(3)5-2/h4,8,14H,5-7,9H2,1-3H3/b8-4-,12-10-,13-11+
InChIKeyNOQVBKBXEYUDQV-VJRASUNBSA-N
XLogP3.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine
CID 123919585
N-ethenyl-2-fluoro-1-(1,2,3,6-tetrahydropyridin-4-yl)prop-2-en-1-imine
CID 144037482
(4E)-4-fluoro-N-[1-(4-methyliminopiperidin-3-ylidene)ethyl]hepta-4,6-dien-2-amine
CID 163607220
Hexahydroazonino[5,6-b]indole
CID 129799442
((1Z)-1-Methyl-2-(1-pyrrolin-2-yl)vinyl)(2-methylpropyl)amine
CID 11412728
2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole
CID 15887273
2,3,4,5-tetrahydro-1H-pyrido[3,4-b]indole
CID 22018480
N-[1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-2-methylpropan-1-amine
CID 29925431
(3-butylidene-4H-pyridin-2-yl)methanamine
CID 70596861
1-(3,4-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)methanamine
CID 70991340
N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-2,3-dihydropyridin-2-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085531
2,3-Dimethylidene-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 91024706

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-butan-2-ylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine?
The IUPAC name of (2Z)-2-butan-2-ylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine (CID 142833341) is (2Z)-2-butan-2-ylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine.
What is the SMILES notation for (2Z)-2-butan-2-ylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine?
The canonical SMILES for (2Z)-2-butan-2-ylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine is C/C=C\N=C1/CCCN/C1=C(/C)CC.
What is the InChIKey of (2Z)-2-butan-2-ylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine?
The InChIKey is NOQVBKBXEYUDQV-VJRASUNBSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-8-13-11-7-6-9-14-12(11)10(3)5-2/h4,8,14H,5-7,9H2,1-3H3/b8-4-,12-10-,13-11+.
What are the key properties of (2Z)-2-butan-2-ylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine?
(2Z)-2-butan-2-ylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine has a molecular weight of 192.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-butan-2-ylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine is sourced from PubChem (CID 142833341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).