(Z)-2-(1,5-dimethylpiperidin-3-yl)-3-methyliminoprop-1-en-1-amine

C11H21N3 — CID 177322368

IUPAC(Z)-2-(1,5-dimethylpiperidin-3-yl)-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(=C\N)C1CC(C)CN(C)C1
InChIInChI=1S/C11H21N3/c1-9-4-10(8-14(3)7-9)11(5-12)6-13-2/h5-6,9-10H,4,7-8,12H2,1-3H3/b11-5+,13-6+
InChIKeyXYHIAKGDPHXWPK-LRPJOWSMSA-N
MW195.31 g/mol
LogP1.12
Rot. Bonds2

About (Z)-2-(1,5-dimethylpiperidin-3-yl)-3-methyliminoprop-1-en-1-amine

(Z)-2-(1,5-dimethylpiperidin-3-yl)-3-methyliminoprop-1-en-1-amine (PubChem CID 177322368) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (Z)-2-(1,5-dimethylpiperidin-3-yl)-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(1,5-dimethylpiperidin-3-yl)-3-methyliminoprop-1-en-1-amine
PubChem CID177322368
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(Z)-2-(1,5-dimethylpiperidin-3-yl)-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(=C\N)C1CC(C)CN(C)C1
InChIInChI=1S/C11H21N3/c1-9-4-10(8-14(3)7-9)11(5-12)6-13-2/h5-6,9-10H,4,7-8,12H2,1-3H3/b11-5+,13-6+
InChIKeyXYHIAKGDPHXWPK-LRPJOWSMSA-N
XLogP1.12
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4,4-Difluoropiperidin-3-yl)-3-methyliminoprop-1-en-1-amine
CID 173980595
[(E)-3-(dimethylamino)-2-piperidin-4-ylprop-2-enylidene]-dimethylazanium
CID 154723610
4-(2-methylpropyl)-1-(3H-pyrrol-4-ylmethyl)piperidine
CID 59176544
N-ethenyl-2-(1-methylpiperidin-4-yl)prop-2-en-1-imine
CID 123879121
(Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine
CID 139357837
(Z)-2-(5-dimethylphosphanylpiperidin-3-yl)-3-iminoprop-1-en-1-amine
CID 139358059
(Z)-2-[5-(azetidin-1-ylmethyl)piperidin-3-yl]-3-iminoprop-1-en-1-amine
CID 139358109
(Z)-2-(2,5-dimethylpiperidin-3-yl)-3-iminoprop-1-en-1-amine
CID 139358974
(Z)-3-imino-2-piperidin-4-ylprop-1-en-1-amine
CID 143782075
(Z)-N-ethenyl-2-piperidin-3-ylbut-2-en-1-imine
CID 144729142
(Z)-N'-(cyclopentylmethyl)-N'-ethyl-2-methanimidoyl-3-methylbut-1-ene-1,4-diamine
CID 146492444
(Z)-3-methyl-2-[(1-methylpiperidin-4-yl)iminomethyl]but-1-en-1-amine
CID 164585972

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(1,5-dimethylpiperidin-3-yl)-3-methyliminoprop-1-en-1-amine?
The IUPAC name of (Z)-2-(1,5-dimethylpiperidin-3-yl)-3-methyliminoprop-1-en-1-amine (CID 177322368) is (Z)-2-(1,5-dimethylpiperidin-3-yl)-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-2-(1,5-dimethylpiperidin-3-yl)-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for (Z)-2-(1,5-dimethylpiperidin-3-yl)-3-methyliminoprop-1-en-1-amine is C/N=C/C(=C\N)C1CC(C)CN(C)C1.
What is the InChIKey of (Z)-2-(1,5-dimethylpiperidin-3-yl)-3-methyliminoprop-1-en-1-amine?
The InChIKey is XYHIAKGDPHXWPK-LRPJOWSMSA-N. The full InChI is InChI=1S/C11H21N3/c1-9-4-10(8-14(3)7-9)11(5-12)6-13-2/h5-6,9-10H,4,7-8,12H2,1-3H3/b11-5+,13-6+.
What are the key properties of (Z)-2-(1,5-dimethylpiperidin-3-yl)-3-methyliminoprop-1-en-1-amine?
(Z)-2-(1,5-dimethylpiperidin-3-yl)-3-methyliminoprop-1-en-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(1,5-dimethylpiperidin-3-yl)-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 177322368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).