(3E,5Z)-4-tert-butyl-N-(3-piperidin-1-ylpropyl)hepta-1,3,5-trien-2-amine

C19H34N2 — CID 142817835

IUPAC(3E,5Z)-4-tert-butyl-N-(3-piperidin-1-ylpropyl)hepta-1,3,5-trien-2-amine
SMILESC=C(/C=C(\C=C/C)C(C)(C)C)NCCCN1CCCCC1
InChIInChI=1S/C19H34N2/c1-6-11-18(19(3,4)5)16-17(2)20-12-10-15-21-13-8-7-9-14-21/h6,11,16,20H,2,7-10,12-15H2,1,3-5H3/b11-6-,18-16+
InChIKeyQSUJWGRLGGSDSC-SWNOTMDJSA-N
MW290.50 g/mol
LogP4.51
Rot. Bonds7

About (3E,5Z)-4-tert-butyl-N-(3-piperidin-1-ylpropyl)hepta-1,3,5-trien-2-amine

(3E,5Z)-4-tert-butyl-N-(3-piperidin-1-ylpropyl)hepta-1,3,5-trien-2-amine (PubChem CID 142817835) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is (3E,5Z)-4-tert-butyl-N-(3-piperidin-1-ylpropyl)hepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E,5Z)-4-tert-butyl-N-(3-piperidin-1-ylpropyl)hepta-1,3,5-trien-2-amine
PubChem CID142817835
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name(3E,5Z)-4-tert-butyl-N-(3-piperidin-1-ylpropyl)hepta-1,3,5-trien-2-amine
SMILESC=C(/C=C(\C=C/C)C(C)(C)C)NCCCN1CCCCC1
InChIInChI=1S/C19H34N2/c1-6-11-18(19(3,4)5)16-17(2)20-12-10-15-21-13-8-7-9-14-21/h6,11,16,20H,2,7-10,12-15H2,1,3-5H3/b11-6-,18-16+
InChIKeyQSUJWGRLGGSDSC-SWNOTMDJSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E,5Z)-4-tert-butyl-N-(3-piperidin-1-ylpropyl)hepta-1,3,5-trien-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z,6E,7E,9Z)-6-(3-fluoro-3-methylbutylidene)-N-hepta-1,6-dien-2-yl-2,2,7,9-tetramethylundeca-4,7,9-trien-1-amine
CID 126586993
1-(3-chloro-6-methylcyclohexa-1,3-dien-1-yl)-N-[[1-(3,3-dimethylbutyl)-3-fluoropiperidin-4-yl]methyl]ethenamine
CID 142385549
4-[(E)-2-fluoroethenyl]-3-[(Z)-prop-1-enyl]-2,8-diazaspiro[4.5]dec-3-ene
CID 143498263
5-[(1Z)-3-(4-fluoro-4-methylpiperidin-1-yl)buta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 145128277
N-[(2E,4E)-5-ethyl-6,6-dimethylhepta-2,4-dien-3-yl]-3-fluoro-1-methylpiperidin-4-amine
CID 154999657
4-[4-[(E)-2-(2-fluorocyclohexa-1,3-dien-1-yl)ethenyl]piperidin-1-yl]-N-methylbut-1-en-2-amine
CID 142816354
1-[(3E)-3-ethylidenehepta-1,4-dien-6-yn-2-yl]-N-[(2E,4E,5E)-4-(1-ethylprop-2-enylidene)-7-fluoro-5-methylocta-2,5,7-trien-2-yl]piperidin-4-amine
CID 171839850
4-N-[5-(diethylamino)pentan-2-yl]-6-methylcyclohexa-1,5-diene-1,4-diamine
CID 58598920
4-N-[3-(dibutylamino)propyl]-6-methylcyclohexa-1,5-diene-1,4-diamine
CID 58598922
4-methyl-4-N-piperidin-4-ylcyclohexa-1,5-diene-1,4-diamine
CID 67191282
2-[5-ethenyl-1,2-dimethyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-3-yl]-N-(piperidin-4-ylmethyl)ethanamine
CID 68039681
Spiro[1,2-dihydrocyclopenta[b]pyridine-6,4'-piperidine]
CID 69010944

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-4-tert-butyl-N-(3-piperidin-1-ylpropyl)hepta-1,3,5-trien-2-amine?
The IUPAC name of (3E,5Z)-4-tert-butyl-N-(3-piperidin-1-ylpropyl)hepta-1,3,5-trien-2-amine (CID 142817835) is (3E,5Z)-4-tert-butyl-N-(3-piperidin-1-ylpropyl)hepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3E,5Z)-4-tert-butyl-N-(3-piperidin-1-ylpropyl)hepta-1,3,5-trien-2-amine?
The canonical SMILES for (3E,5Z)-4-tert-butyl-N-(3-piperidin-1-ylpropyl)hepta-1,3,5-trien-2-amine is C=C(/C=C(\C=C/C)C(C)(C)C)NCCCN1CCCCC1.
What is the InChIKey of (3E,5Z)-4-tert-butyl-N-(3-piperidin-1-ylpropyl)hepta-1,3,5-trien-2-amine?
The InChIKey is QSUJWGRLGGSDSC-SWNOTMDJSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-11-18(19(3,4)5)16-17(2)20-12-10-15-21-13-8-7-9-14-21/h6,11,16,20H,2,7-10,12-15H2,1,3-5H3/b11-6-,18-16+.
What are the key properties of (3E,5Z)-4-tert-butyl-N-(3-piperidin-1-ylpropyl)hepta-1,3,5-trien-2-amine?
(3E,5Z)-4-tert-butyl-N-(3-piperidin-1-ylpropyl)hepta-1,3,5-trien-2-amine has a molecular weight of 290.50 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-tert-butyl-N-(3-piperidin-1-ylpropyl)hepta-1,3,5-trien-2-amine is sourced from PubChem (CID 142817835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).