3-[(2E,4Z)-3-(2-cyclopropylethyl)-4-methylhexa-2,4-dien-2-yl]-3-methylpiperidine

C18H31N — CID 88941213

IUPAC3-[(2E,4Z)-3-(2-cyclopropylethyl)-4-methylhexa-2,4-dien-2-yl]-3-methylpiperidine
SMILESC/C=C(C)\C(CCC1CC1)=C(/C)C1(C)CCCNC1
InChIInChI=1S/C18H31N/c1-5-14(2)17(10-9-16-7-8-16)15(3)18(4)11-6-12-19-13-18/h5,16,19H,6-13H2,1-4H3/b14-5-,17-15+
InChIKeyNKSPYZDURQTVEA-JMRDXVDSSA-N
MW261.45 g/mol
LogP4.85
Rot. Bonds5

About 3-[(2E,4Z)-3-(2-cyclopropylethyl)-4-methylhexa-2,4-dien-2-yl]-3-methylpiperidine

3-[(2E,4Z)-3-(2-cyclopropylethyl)-4-methylhexa-2,4-dien-2-yl]-3-methylpiperidine (PubChem CID 88941213) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 3-[(2E,4Z)-3-(2-cyclopropylethyl)-4-methylhexa-2,4-dien-2-yl]-3-methylpiperidine.

Molecular Properties

Compound Name3-[(2E,4Z)-3-(2-cyclopropylethyl)-4-methylhexa-2,4-dien-2-yl]-3-methylpiperidine
PubChem CID88941213
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name3-[(2E,4Z)-3-(2-cyclopropylethyl)-4-methylhexa-2,4-dien-2-yl]-3-methylpiperidine
SMILESC/C=C(C)\C(CCC1CC1)=C(/C)C1(C)CCCNC1
InChIInChI=1S/C18H31N/c1-5-14(2)17(10-9-16-7-8-16)15(3)18(4)11-6-12-19-13-18/h5,16,19H,6-13H2,1-4H3/b14-5-,17-15+
InChIKeyNKSPYZDURQTVEA-JMRDXVDSSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2E,4Z)-3-(2-cyclopropylethyl)-4-methylhexa-2,4-dien-2-yl]-3-methylpiperidine?
The IUPAC name of 3-[(2E,4Z)-3-(2-cyclopropylethyl)-4-methylhexa-2,4-dien-2-yl]-3-methylpiperidine (CID 88941213) is 3-[(2E,4Z)-3-(2-cyclopropylethyl)-4-methylhexa-2,4-dien-2-yl]-3-methylpiperidine.
What is the SMILES notation for 3-[(2E,4Z)-3-(2-cyclopropylethyl)-4-methylhexa-2,4-dien-2-yl]-3-methylpiperidine?
The canonical SMILES for 3-[(2E,4Z)-3-(2-cyclopropylethyl)-4-methylhexa-2,4-dien-2-yl]-3-methylpiperidine is C/C=C(C)\C(CCC1CC1)=C(/C)C1(C)CCCNC1.
What is the InChIKey of 3-[(2E,4Z)-3-(2-cyclopropylethyl)-4-methylhexa-2,4-dien-2-yl]-3-methylpiperidine?
The InChIKey is NKSPYZDURQTVEA-JMRDXVDSSA-N. The full InChI is InChI=1S/C18H31N/c1-5-14(2)17(10-9-16-7-8-16)15(3)18(4)11-6-12-19-13-18/h5,16,19H,6-13H2,1-4H3/b14-5-,17-15+.
What are the key properties of 3-[(2E,4Z)-3-(2-cyclopropylethyl)-4-methylhexa-2,4-dien-2-yl]-3-methylpiperidine?
3-[(2E,4Z)-3-(2-cyclopropylethyl)-4-methylhexa-2,4-dien-2-yl]-3-methylpiperidine has a molecular weight of 261.45 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E,4Z)-3-(2-cyclopropylethyl)-4-methylhexa-2,4-dien-2-yl]-3-methylpiperidine is sourced from PubChem (CID 88941213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).