N-[(Z)-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]methyl]ethanimine

C12H20N2 — CID 142253748

IUPACN-[(Z)-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]methyl]ethanimine
SMILESC/C=N/C=C1/CCCN/C1=C(/C)CC
InChIInChI=1S/C12H20N2/c1-4-10(3)12-11(9-13-5-2)7-6-8-14-12/h5,9,14H,4,6-8H2,1-3H3/b11-9-,12-10-,13-5+
InChIKeyGWLQIYGCJAQFPI-UGUZOMGUSA-N
MW192.31 g/mol
LogP3.03
Rot. Bonds2

About N-[(Z)-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]methyl]ethanimine

N-[(Z)-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]methyl]ethanimine (PubChem CID 142253748) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-[(Z)-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]methyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]methyl]ethanimine
PubChem CID142253748
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-[(Z)-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]methyl]ethanimine
SMILESC/C=N/C=C1/CCCN/C1=C(/C)CC
InChIInChI=1S/C12H20N2/c1-4-10(3)12-11(9-13-5-2)7-6-8-14-12/h5,9,14H,4,6-8H2,1-3H3/b11-9-,12-10-,13-5+
InChIKeyGWLQIYGCJAQFPI-UGUZOMGUSA-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

(2Z,3Z)-2-butan-2-ylidene-3-[(Z)-but-2-enylidene]azepane
CID 142245183
(E,12Z)-2-acetamido-12-[(2E)-2-butan-2-ylidenepiperidin-3-ylidene]-10-methyldodec-10-enoic acid
CID 163625846
3-butan-2-ylidenepiperidine
CID 79879144
(3Z)-N-methyl-3-prop-2-enylidenepiperidin-2-imine;propane
CID 143201854
S-ethyl 2-pyrrolidin-2-ylideneethanethioate
CID 130981877
(1Z)-1-pyrrolidin-2-ylidenepropan-2-one
CID 11815355
(3Z)-3-[(2E)-3,8-dimethylnona-2,8-dienylidene]-2-methylidenepiperidine
CID 155485176
propanoic acid;pyrrolidin-2-one
CID 163580997
ethane;(1Z)-1-pyrrolidin-2-ylidenepropan-1-amine
CID 142619224
(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)hex-1-en-3-imine
CID 142348356
azepan-2-one;butan-2-one
CID 174586665
(2E)-2-butan-2-ylidenepiperidine-1-carbaldehyde
CID 142335849

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]methyl]ethanimine?
The IUPAC name of N-[(Z)-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]methyl]ethanimine (CID 142253748) is N-[(Z)-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]methyl]ethanimine.
What is the SMILES notation for N-[(Z)-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]methyl]ethanimine?
The canonical SMILES for N-[(Z)-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]methyl]ethanimine is C/C=N/C=C1/CCCN/C1=C(/C)CC.
What is the InChIKey of N-[(Z)-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]methyl]ethanimine?
The InChIKey is GWLQIYGCJAQFPI-UGUZOMGUSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-10(3)12-11(9-13-5-2)7-6-8-14-12/h5,9,14H,4,6-8H2,1-3H3/b11-9-,12-10-,13-5+.
What are the key properties of N-[(Z)-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]methyl]ethanimine?
N-[(Z)-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]methyl]ethanimine 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 N-[(Z)-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]methyl]ethanimine is sourced from PubChem (CID 142253748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).