(E,4Z)-N-(cyclohepta-1,4,6-trien-1-ylmethyl)-4-[(Z)-1-piperidin-1-ylprop-1-enyl]iminobut-2-en-1-amine

C20H29N3 — CID 176689500

IUPAC(E,4Z)-N-(cyclohepta-1,4,6-trien-1-ylmethyl)-4-[(Z)-1-piperidin-1-ylprop-1-enyl]iminobut-2-en-1-amine
SMILESC/C=C(\N=C/C=C/CNCC1=CCC=CC=C1)N1CCCCC1
InChIInChI=1S/C20H29N3/c1-2-20(23-16-10-5-11-17-23)22-15-9-8-14-21-18-19-12-6-3-4-7-13-19/h2-4,6,8-9,12-13,15,21H,5,7,10-11,14,16-18H2,1H3/b9-8+,20-2+,22-15-
InChIKeyYEYVCHHWJINGIF-IMIPFQGBSA-N
MW311.47 g/mol
LogP3.99
Rot. Bonds7

About (E,4Z)-N-(cyclohepta-1,4,6-trien-1-ylmethyl)-4-[(Z)-1-piperidin-1-ylprop-1-enyl]iminobut-2-en-1-amine

(E,4Z)-N-(cyclohepta-1,4,6-trien-1-ylmethyl)-4-[(Z)-1-piperidin-1-ylprop-1-enyl]iminobut-2-en-1-amine (PubChem CID 176689500) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is (E,4Z)-N-(cyclohepta-1,4,6-trien-1-ylmethyl)-4-[(Z)-1-piperidin-1-ylprop-1-enyl]iminobut-2-en-1-amine.

Molecular Properties

Compound Name(E,4Z)-N-(cyclohepta-1,4,6-trien-1-ylmethyl)-4-[(Z)-1-piperidin-1-ylprop-1-enyl]iminobut-2-en-1-amine
PubChem CID176689500
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC Name(E,4Z)-N-(cyclohepta-1,4,6-trien-1-ylmethyl)-4-[(Z)-1-piperidin-1-ylprop-1-enyl]iminobut-2-en-1-amine
SMILESC/C=C(\N=C/C=C/CNCC1=CCC=CC=C1)N1CCCCC1
InChIInChI=1S/C20H29N3/c1-2-20(23-16-10-5-11-17-23)22-15-9-8-14-21-18-19-12-6-3-4-7-13-19/h2-4,6,8-9,12-13,15,21H,5,7,10-11,14,16-18H2,1H3/b9-8+,20-2+,22-15-
InChIKeyYEYVCHHWJINGIF-IMIPFQGBSA-N
XLogP3.99
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E,4Z)-N-(cyclohepta-1,4,6-trien-1-ylmethyl)-4-[(Z)-1-piperidin-1-ylprop-1-enyl]iminobut-2-en-1-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

N-(1-ethylpiperidin-4-yl)-4H-azepin-2-amine
CID 143193243
5-N-methyl-7-N-(1-methylpiperidin-4-yl)-6-prop-1-en-2-yl-3H-azepine-5,7-diamine
CID 144055348
(2Z,4Z)-4-methyl-N-piperidin-2-ylhexa-2,4-dien-1-imine
CID 173560773
(1Z,3Z,5E)-5-ethylidene-N,7-dimethyl-1-(methylideneamino)-6-(methyliminomethyl)-8-piperidin-1-yl-3-prop-1-en-2-ylocta-1,3,6-trien-1-amine
CID 173975156
(Z,2E)-N-[1-[4-[2-amino-2-[(Z)-[(Z)-3-aminobut-2-enylidene]amino]ethyl]piperidin-1-yl]ethenyl]-2-ethylidenepent-3-en-1-amine
CID 143567237
N-ethyl-2-(2-piperidin-1-yl-4H-azepin-5-yl)ethanamine
CID 169104018

Frequently Asked Questions

What is the IUPAC name of (E,4Z)-N-(cyclohepta-1,4,6-trien-1-ylmethyl)-4-[(Z)-1-piperidin-1-ylprop-1-enyl]iminobut-2-en-1-amine?
The IUPAC name of (E,4Z)-N-(cyclohepta-1,4,6-trien-1-ylmethyl)-4-[(Z)-1-piperidin-1-ylprop-1-enyl]iminobut-2-en-1-amine (CID 176689500) is (E,4Z)-N-(cyclohepta-1,4,6-trien-1-ylmethyl)-4-[(Z)-1-piperidin-1-ylprop-1-enyl]iminobut-2-en-1-amine.
What is the SMILES notation for (E,4Z)-N-(cyclohepta-1,4,6-trien-1-ylmethyl)-4-[(Z)-1-piperidin-1-ylprop-1-enyl]iminobut-2-en-1-amine?
The canonical SMILES for (E,4Z)-N-(cyclohepta-1,4,6-trien-1-ylmethyl)-4-[(Z)-1-piperidin-1-ylprop-1-enyl]iminobut-2-en-1-amine is C/C=C(\N=C/C=C/CNCC1=CCC=CC=C1)N1CCCCC1.
What is the InChIKey of (E,4Z)-N-(cyclohepta-1,4,6-trien-1-ylmethyl)-4-[(Z)-1-piperidin-1-ylprop-1-enyl]iminobut-2-en-1-amine?
The InChIKey is YEYVCHHWJINGIF-IMIPFQGBSA-N. The full InChI is InChI=1S/C20H29N3/c1-2-20(23-16-10-5-11-17-23)22-15-9-8-14-21-18-19-12-6-3-4-7-13-19/h2-4,6,8-9,12-13,15,21H,5,7,10-11,14,16-18H2,1H3/b9-8+,20-2+,22-15-.
What are the key properties of (E,4Z)-N-(cyclohepta-1,4,6-trien-1-ylmethyl)-4-[(Z)-1-piperidin-1-ylprop-1-enyl]iminobut-2-en-1-amine?
(E,4Z)-N-(cyclohepta-1,4,6-trien-1-ylmethyl)-4-[(Z)-1-piperidin-1-ylprop-1-enyl]iminobut-2-en-1-amine has a molecular weight of 311.47 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4Z)-N-(cyclohepta-1,4,6-trien-1-ylmethyl)-4-[(Z)-1-piperidin-1-ylprop-1-enyl]iminobut-2-en-1-amine is sourced from PubChem (CID 176689500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).