(5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine

C11H21N3 — CID 170079294

IUPAC(5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine
SMILESCCC/C=C1/CNCC(NC)/C1=N\C
InChIInChI=1S/C11H21N3/c1-4-5-6-9-7-14-8-10(12-2)11(9)13-3/h6,10,12,14H,4-5,7-8H2,1-3H3/b9-6-,13-11-
InChIKeyZAPUZSQMZYVASQ-GAFAEJDHSA-N
MW195.31 g/mol
LogP0.97
Rot. Bonds3

About (5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine

(5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine (PubChem CID 170079294) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine.

Molecular Properties

Compound Name(5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine
PubChem CID170079294
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine
SMILESCCC/C=C1/CNCC(NC)/C1=N\C
InChIInChI=1S/C11H21N3/c1-4-5-6-9-7-14-8-10(12-2)11(9)13-3/h6,10,12,14H,4-5,7-8H2,1-3H3/b9-6-,13-11-
InChIKeyZAPUZSQMZYVASQ-GAFAEJDHSA-N
XLogP0.97
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
(4E)-4-fluoro-N-[1-(4-methyliminopiperidin-3-ylidene)ethyl]hepta-4,6-dien-2-amine
CID 163607220
(3E)-3-(1-fluoropropylidene)-N,2-dimethylpiperidin-4-imine
CID 177021763
4-(5-methyl-2H-pyrrol-3-yl)piperidine
CID 58578256
N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine
CID 89030889
(2S)-2-(2-methyl-2H-pyrrol-4-yl)piperidine
CID 89154206
3,5,6,7,8,8a-Hexahydro-1,7-naphthyridine
CID 91081122
2,3,5,6,7,8-Hexahydro-1,6-naphthyridine
CID 91152467
1-(6-But-1-en-2-yl-2,3-dihydropyridin-5-yl)piperazine
CID 117852720
(2R)-2-[(E)-2-methylbut-2-enyl]piperazine
CID 117854383
N'-methyl-N'-[(5-propyl-2H-pyrrol-4-yl)methyl]ethane-1,2-diamine
CID 121442677
N-(2,3-dihydropyridin-2-ylmethyl)-2-ethyliminopentan-1-amine
CID 123262214

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine?
The IUPAC name of (5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine (CID 170079294) is (5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine.
What is the SMILES notation for (5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine?
The canonical SMILES for (5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine is CCC/C=C1/CNCC(NC)/C1=N\C.
What is the InChIKey of (5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine?
The InChIKey is ZAPUZSQMZYVASQ-GAFAEJDHSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-5-6-9-7-14-8-10(12-2)11(9)13-3/h6,10,12,14H,4-5,7-8H2,1-3H3/b9-6-,13-11-.
What are the key properties of (5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine?
(5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine has a molecular weight of 195.31 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine is sourced from PubChem (CID 170079294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).