(3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-1,3,5-trien-2-amine

C19H34N2 — CID 89355298

IUPAC(3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-1,3,5-trien-2-amine
SMILESC=C(NCCN1CCCCC1)/C(=C\C=C(C)C)C(C)(C)C
InChIInChI=1S/C19H34N2/c1-16(2)10-11-18(19(4,5)6)17(3)20-12-15-21-13-8-7-9-14-21/h10-11,20H,3,7-9,12-15H2,1-2,4-6H3/b18-11+
InChIKeyRGTUMBDUSBRYCW-WOJGMQOQSA-N
MW290.50 g/mol
LogP4.51
Rot. Bonds6

About (3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-1,3,5-trien-2-amine

(3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-1,3,5-trien-2-amine (PubChem CID 89355298) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is (3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-1,3,5-trien-2-amine
PubChem CID89355298
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name(3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-1,3,5-trien-2-amine
SMILESC=C(NCCN1CCCCC1)/C(=C\C=C(C)C)C(C)(C)C
InChIInChI=1S/C19H34N2/c1-16(2)10-11-18(19(4,5)6)17(3)20-12-15-21-13-8-7-9-14-21/h10-11,20H,3,7-9,12-15H2,1-2,4-6H3/b18-11+
InChIKeyRGTUMBDUSBRYCW-WOJGMQOQSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-1,3,5-trien-2-amine (CID 89355298) is (3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-1,3,5-trien-2-amine is C=C(NCCN1CCCCC1)/C(=C\C=C(C)C)C(C)(C)C.
What is the InChIKey of (3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-1,3,5-trien-2-amine?
The InChIKey is RGTUMBDUSBRYCW-WOJGMQOQSA-N. The full InChI is InChI=1S/C19H34N2/c1-16(2)10-11-18(19(4,5)6)17(3)20-12-15-21-13-8-7-9-14-21/h10-11,20H,3,7-9,12-15H2,1-2,4-6H3/b18-11+.
What are the key properties of (3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-1,3,5-trien-2-amine?
(3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-1,3,5-trien-2-amine has a molecular weight of 290.50 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-1,3,5-trien-2-amine is sourced from PubChem (CID 89355298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).