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

C19H36N2 — CID 88957766

IUPAC(3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine
SMILESCC(C)=C/C=C(\C(C)NCCN1CCCCC1)C(C)(C)C
InChIInChI=1S/C19H36N2/c1-16(2)10-11-18(19(4,5)6)17(3)20-12-15-21-13-8-7-9-14-21/h10-11,17,20H,7-9,12-15H2,1-6H3/b18-11+
InChIKeyUYBUQNJESVMZJO-WOJGMQOQSA-N
MW292.51 g/mol
LogP4.39
Rot. Bonds6

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

(3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine (PubChem CID 88957766) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is (3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine.

Molecular Properties

Compound Name(3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine
PubChem CID88957766
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name(3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine
SMILESCC(C)=C/C=C(\C(C)NCCN1CCCCC1)C(C)(C)C
InChIInChI=1S/C19H36N2/c1-16(2)10-11-18(19(4,5)6)17(3)20-12-15-21-13-8-7-9-14-21/h10-11,17,20H,7-9,12-15H2,1-6H3/b18-11+
InChIKeyUYBUQNJESVMZJO-WOJGMQOQSA-N
XLogP4.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine with MolForge

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Launch Full Analysis

Related Compounds

(2-Piperazin-1-yl-ethyl)-(2,2,5,9-tetramethyl-deca-4,8-dienyl)-amine
CID 1893792
1-piperidineethanamine, N-[(2E)-3,7-dimethyl-2,6-octadienyl]-2-ethyl-
CID 6482274
N-[2-(4-fluoropiperidin-1-yl)ethyl]-2,4,7-trimethylocta-4,6-dien-3-amine
CID 123373633
3-ethyl-6-fluoro-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine
CID 124007959
N-[(2E,4E)-5-ethyl-6,6-dimethylhepta-2,4-dien-3-yl]-3-fluoro-1-methylpiperidin-4-amine
CID 154999657
(2-Piperidin-1-yl-ethyl)-(1,5,9-trimethyl-deca-4,8-dienyl)-amine
CID 6480529
7,7,9,9-Tetramethyl-1-piperazin-1-yldec-4-en-2-amine
CID 57026119
(8aS)-7-tert-butyl-1,2,3,4,6,8a-hexahydropyrrolo[1,2-a]pyrazine
CID 57928859
1-[(E)-3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine
CID 70025741
1-[3-(2-Piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine
CID 70025743
1-[(E)-3-(1-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine
CID 70163277
N-[2-(2-Ethylpiperidin-1-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 71366716

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine?
The IUPAC name of (3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine (CID 88957766) is (3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine.
What is the SMILES notation for (3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine?
The canonical SMILES for (3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine is CC(C)=C/C=C(\C(C)NCCN1CCCCC1)C(C)(C)C.
What is the InChIKey of (3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine?
The InChIKey is UYBUQNJESVMZJO-WOJGMQOQSA-N. The full InChI is InChI=1S/C19H36N2/c1-16(2)10-11-18(19(4,5)6)17(3)20-12-15-21-13-8-7-9-14-21/h10-11,17,20H,7-9,12-15H2,1-6H3/b18-11+.
What are the key properties of (3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine?
(3Z)-3-tert-butyl-6-methyl-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine has a molecular weight of 292.51 g/mol, XLogP of 4.39, 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-3,5-dien-2-amine is sourced from PubChem (CID 88957766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).