(2Z)-2-(3-methylidene-6-propan-2-ylpiperidin-2-ylidene)-1-(2-methylpiperidin-1-yl)ethanimine

C17H29N3 — CID 167047775

IUPAC(2Z)-2-(3-methylidene-6-propan-2-ylpiperidin-2-ylidene)-1-(2-methylpiperidin-1-yl)ethanimine
SMILES[H]/N=C(/C=C1\NC(C(C)C)CCC1=C)N1CCCCC1C
InChIInChI=1S/C17H29N3/c1-12(2)15-9-8-13(3)16(19-15)11-17(18)20-10-6-5-7-14(20)4/h11-12,14-15,18-19H,3,5-10H2,1-2,4H3/b16-11-,18-17-
InChIKeyATUQWMUOMXLCJB-DTCHUVSZSA-N
MW275.44 g/mol
LogP3.69
Rot. Bonds2

About (2Z)-2-(3-methylidene-6-propan-2-ylpiperidin-2-ylidene)-1-(2-methylpiperidin-1-yl)ethanimine

(2Z)-2-(3-methylidene-6-propan-2-ylpiperidin-2-ylidene)-1-(2-methylpiperidin-1-yl)ethanimine (PubChem CID 167047775) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is (2Z)-2-(3-methylidene-6-propan-2-ylpiperidin-2-ylidene)-1-(2-methylpiperidin-1-yl)ethanimine.

Molecular Properties

Compound Name(2Z)-2-(3-methylidene-6-propan-2-ylpiperidin-2-ylidene)-1-(2-methylpiperidin-1-yl)ethanimine
PubChem CID167047775
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name(2Z)-2-(3-methylidene-6-propan-2-ylpiperidin-2-ylidene)-1-(2-methylpiperidin-1-yl)ethanimine
SMILES[H]/N=C(/C=C1\NC(C(C)C)CCC1=C)N1CCCCC1C
InChIInChI=1S/C17H29N3/c1-12(2)15-9-8-13(3)16(19-15)11-17(18)20-10-6-5-7-14(20)4/h11-12,14-15,18-19H,3,5-10H2,1-2,4H3/b16-11-,18-17-
InChIKeyATUQWMUOMXLCJB-DTCHUVSZSA-N
XLogP3.69
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(3-methylidene-6-propan-2-ylpiperidin-2-ylidene)-1-(2-methylpiperidin-1-yl)ethanimine?
The IUPAC name of (2Z)-2-(3-methylidene-6-propan-2-ylpiperidin-2-ylidene)-1-(2-methylpiperidin-1-yl)ethanimine (CID 167047775) is (2Z)-2-(3-methylidene-6-propan-2-ylpiperidin-2-ylidene)-1-(2-methylpiperidin-1-yl)ethanimine.
What is the SMILES notation for (2Z)-2-(3-methylidene-6-propan-2-ylpiperidin-2-ylidene)-1-(2-methylpiperidin-1-yl)ethanimine?
The canonical SMILES for (2Z)-2-(3-methylidene-6-propan-2-ylpiperidin-2-ylidene)-1-(2-methylpiperidin-1-yl)ethanimine is [H]/N=C(/C=C1\NC(C(C)C)CCC1=C)N1CCCCC1C.
What is the InChIKey of (2Z)-2-(3-methylidene-6-propan-2-ylpiperidin-2-ylidene)-1-(2-methylpiperidin-1-yl)ethanimine?
The InChIKey is ATUQWMUOMXLCJB-DTCHUVSZSA-N. The full InChI is InChI=1S/C17H29N3/c1-12(2)15-9-8-13(3)16(19-15)11-17(18)20-10-6-5-7-14(20)4/h11-12,14-15,18-19H,3,5-10H2,1-2,4H3/b16-11-,18-17-.
What are the key properties of (2Z)-2-(3-methylidene-6-propan-2-ylpiperidin-2-ylidene)-1-(2-methylpiperidin-1-yl)ethanimine?
(2Z)-2-(3-methylidene-6-propan-2-ylpiperidin-2-ylidene)-1-(2-methylpiperidin-1-yl)ethanimine has a molecular weight of 275.44 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(3-methylidene-6-propan-2-ylpiperidin-2-ylidene)-1-(2-methylpiperidin-1-yl)ethanimine is sourced from PubChem (CID 167047775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).