(1Z)-N,3,3-trimethyl-1-(3-methylpiperidin-2-ylidene)butan-2-imine

C13H24N2 — CID 162729141

IUPAC(1Z)-N,3,3-trimethyl-1-(3-methylpiperidin-2-ylidene)butan-2-imine
SMILESC/N=C(/C=C1\NCCCC1C)C(C)(C)C
InChIInChI=1S/C13H24N2/c1-10-7-6-8-15-11(10)9-12(14-5)13(2,3)4/h9-10,15H,6-8H2,1-5H3/b11-9-,14-12-
InChIKeyWOGXMZYKZIDBPU-YJKQCFOZSA-N
MW208.35 g/mol
LogP3.01
Rot. Bonds1

About (1Z)-N,3,3-trimethyl-1-(3-methylpiperidin-2-ylidene)butan-2-imine

(1Z)-N,3,3-trimethyl-1-(3-methylpiperidin-2-ylidene)butan-2-imine (PubChem CID 162729141) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (1Z)-N,3,3-trimethyl-1-(3-methylpiperidin-2-ylidene)butan-2-imine.

Molecular Properties

Compound Name(1Z)-N,3,3-trimethyl-1-(3-methylpiperidin-2-ylidene)butan-2-imine
PubChem CID162729141
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(1Z)-N,3,3-trimethyl-1-(3-methylpiperidin-2-ylidene)butan-2-imine
SMILESC/N=C(/C=C1\NCCCC1C)C(C)(C)C
InChIInChI=1S/C13H24N2/c1-10-7-6-8-15-11(10)9-12(14-5)13(2,3)4/h9-10,15H,6-8H2,1-5H3/b11-9-,14-12-
InChIKeyWOGXMZYKZIDBPU-YJKQCFOZSA-N
XLogP3.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.01
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

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CID 29925431
Spiro[1-benzazepine-4,3'-piperidine]
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CID 90103419
(E)-N-ethyl-5,5-dimethyl-4-methyliminohex-2-en-2-amine
CID 139378380
(2Z)-2-butan-2-ylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine
CID 142833341
4,6-dimethyl-2-piperidin-3-yl-4H-azepine
CID 143003990
N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine
CID 143440305
[6-methyl-2-[(Z)-prop-1-enyl]-3,4-dihydropyridin-4-yl]methanamine
CID 144125393
(E)-N-methyl-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;prop-1-ene
CID 144740178
(E)-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;propane
CID 144740227

Frequently Asked Questions

What is the IUPAC name of (1Z)-N,3,3-trimethyl-1-(3-methylpiperidin-2-ylidene)butan-2-imine?
The IUPAC name of (1Z)-N,3,3-trimethyl-1-(3-methylpiperidin-2-ylidene)butan-2-imine (CID 162729141) is (1Z)-N,3,3-trimethyl-1-(3-methylpiperidin-2-ylidene)butan-2-imine.
What is the SMILES notation for (1Z)-N,3,3-trimethyl-1-(3-methylpiperidin-2-ylidene)butan-2-imine?
The canonical SMILES for (1Z)-N,3,3-trimethyl-1-(3-methylpiperidin-2-ylidene)butan-2-imine is C/N=C(/C=C1\NCCCC1C)C(C)(C)C.
What is the InChIKey of (1Z)-N,3,3-trimethyl-1-(3-methylpiperidin-2-ylidene)butan-2-imine?
The InChIKey is WOGXMZYKZIDBPU-YJKQCFOZSA-N. The full InChI is InChI=1S/C13H24N2/c1-10-7-6-8-15-11(10)9-12(14-5)13(2,3)4/h9-10,15H,6-8H2,1-5H3/b11-9-,14-12-.
What are the key properties of (1Z)-N,3,3-trimethyl-1-(3-methylpiperidin-2-ylidene)butan-2-imine?
(1Z)-N,3,3-trimethyl-1-(3-methylpiperidin-2-ylidene)butan-2-imine has a molecular weight of 208.35 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N,3,3-trimethyl-1-(3-methylpiperidin-2-ylidene)butan-2-imine is sourced from PubChem (CID 162729141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).