(6Z)-N-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-yl-6-propylidenecyclohexa-2,4-dien-1-imine

C19H30N2 — CID 170587423

IUPAC(6Z)-N-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-yl-6-propylidenecyclohexa-2,4-dien-1-imine
SMILESCC/C=C1/C=CC(CN2CCCCC2)=C(C(C)C)/C1=N/C
InChIInChI=1S/C19H30N2/c1-5-9-16-10-11-17(14-21-12-7-6-8-13-21)18(15(2)3)19(16)20-4/h9-11,15H,5-8,12-14H2,1-4H3/b16-9-,20-19+
InChIKeyKLFKSILLDURBLP-DCVQPNPVSA-N
MW286.46 g/mol
LogP4.40
Rot. Bonds4

About (6Z)-N-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-yl-6-propylidenecyclohexa-2,4-dien-1-imine

(6Z)-N-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-yl-6-propylidenecyclohexa-2,4-dien-1-imine (PubChem CID 170587423) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is (6Z)-N-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-yl-6-propylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-N-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-yl-6-propylidenecyclohexa-2,4-dien-1-imine
PubChem CID170587423
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name(6Z)-N-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-yl-6-propylidenecyclohexa-2,4-dien-1-imine
SMILESCC/C=C1/C=CC(CN2CCCCC2)=C(C(C)C)/C1=N/C
InChIInChI=1S/C19H30N2/c1-5-9-16-10-11-17(14-21-12-7-6-8-13-21)18(15(2)3)19(16)20-4/h9-11,15H,5-8,12-14H2,1-4H3/b16-9-,20-19+
InChIKeyKLFKSILLDURBLP-DCVQPNPVSA-N
XLogP4.40
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-N-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-yl-6-propylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-N-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-yl-6-propylidenecyclohexa-2,4-dien-1-imine (CID 170587423) is (6Z)-N-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-yl-6-propylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-N-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-yl-6-propylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-N-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-yl-6-propylidenecyclohexa-2,4-dien-1-imine is CC/C=C1/C=CC(CN2CCCCC2)=C(C(C)C)/C1=N/C.
What is the InChIKey of (6Z)-N-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-yl-6-propylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is KLFKSILLDURBLP-DCVQPNPVSA-N. The full InChI is InChI=1S/C19H30N2/c1-5-9-16-10-11-17(14-21-12-7-6-8-13-21)18(15(2)3)19(16)20-4/h9-11,15H,5-8,12-14H2,1-4H3/b16-9-,20-19+.
What are the key properties of (6Z)-N-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-yl-6-propylidenecyclohexa-2,4-dien-1-imine?
(6Z)-N-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-yl-6-propylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 286.46 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-N-methyl-3-(piperidin-1-ylmethyl)-2-propan-2-yl-6-propylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 170587423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).