N-cyclohexyl-1-[3-[(Z)-4-iminobut-2-enimidoyl]-4a,5-dihydroquinolin-2-yl]piperidin-4-amine

C24H33N5 — CID 147405016

IUPACN-cyclohexyl-1-[3-[(Z)-4-iminobut-2-enimidoyl]-4a,5-dihydroquinolin-2-yl]piperidin-4-amine
SMILES[H]/N=C\C=C/C(=N\[H])C1=CC2CC=CC=C2N=C1N1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C24H33N5/c25-14-6-10-22(26)21-17-18-7-4-5-11-23(18)28-24(21)29-15-12-20(13-16-29)27-19-8-2-1-3-9-19/h4-6,10-11,14,17-20,25-27H,1-3,7-9,12-13,15-16H2/b10-6-,25-14-,26-22+
InChIKeyDPMPJFWVMUAJHT-QHXZQOKLSA-N
MW391.56 g/mol
LogP4.40
Rot. Bonds5

About N-cyclohexyl-1-[3-[(Z)-4-iminobut-2-enimidoyl]-4a,5-dihydroquinolin-2-yl]piperidin-4-amine

N-cyclohexyl-1-[3-[(Z)-4-iminobut-2-enimidoyl]-4a,5-dihydroquinolin-2-yl]piperidin-4-amine (PubChem CID 147405016) has the molecular formula C24H33N5 and a molecular weight of 391.56 g/mol. Its IUPAC name is N-cyclohexyl-1-[3-[(Z)-4-iminobut-2-enimidoyl]-4a,5-dihydroquinolin-2-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-[3-[(Z)-4-iminobut-2-enimidoyl]-4a,5-dihydroquinolin-2-yl]piperidin-4-amine
PubChem CID147405016
Molecular FormulaC24H33N5
Molecular Weight391.56 g/mol
Exact Mass391.27
IUPAC NameN-cyclohexyl-1-[3-[(Z)-4-iminobut-2-enimidoyl]-4a,5-dihydroquinolin-2-yl]piperidin-4-amine
SMILES[H]/N=C\C=C/C(=N\[H])C1=CC2CC=CC=C2N=C1N1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C24H33N5/c25-14-6-10-22(26)21-17-18-7-4-5-11-23(18)28-24(21)29-15-12-20(13-16-29)27-19-8-2-1-3-9-19/h4-6,10-11,14,17-20,25-27H,1-3,7-9,12-13,15-16H2/b10-6-,25-14-,26-22+
InChIKeyDPMPJFWVMUAJHT-QHXZQOKLSA-N
XLogP4.40
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-1-[3-[(Z)-4-iminobut-2-enimidoyl]-4a,5-dihydroquinolin-2-yl]piperidin-4-amine with MolForge

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Related Compounds

2-(6-fluoro-2-methylcyclohexa-1,3-dien-1-yl)-4-N-piperidin-4-yl-4a,8a-dihydro-1,7-naphthyridine-4,6-diamine
CID 163826234
2-(3-piperidin-1-ylpropyl)-3a,4,7,8-tetrahydro-1H-perimidine
CID 89636817
12-dodecyl-4a,5,5a,6,6a,10a-hexahydro-4H-naphtho[2,3-g]pteridine
CID 91002845
1-N-methyl-1-N-[7-(4-piperidin-1-ylcyclohepta-1,3-dien-1-yl)-2,3-dihydropyrido[3,4-b]pyrazin-5-yl]butane-1,3-diamine
CID 132039074
6-[2-(3,4-dihydropyridin-3-yl)-4-methylimino-8,8a-dihydro-3H-quinazolin-6-yl]cyclohexa-1,3-dien-1-amine
CID 137285048
1-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]-9-methylpyrido[1,2-a]pyrimidin-7-yl]-N-ethylpiperidin-4-amine;(Z)-3,4-dimethyloct-4-ene
CID 142510937
(2E)-1-(4-cyclobutylidene-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511030
(Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-(9-methyl-4-methylidene-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)penta-2,4-dien-1-imine
CID 142511208
4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine;ethane;methane;molecular hydrogen
CID 142583594
3-[1-(Ethylamino)ethenyl]-6-[3-ethyl-4-[1-[(4-prop-1-en-2-ylcyclohexa-1,5-dien-1-yl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methyl-2,3-dihydropyrazin-2-amine
CID 143280824
carbanide;1-[4-imino-9-methyl-2-[3-(methylamino)benzene-4-id-1-yl]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;uranium(2+)
CID 163915107
(3Z,5E)-5-(4-cyclopropylidene-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-2-yl)-3-methyl-N-[(2Z)-penta-2,4-dien-2-yl]hepta-3,5-dien-2-imine
CID 170020362

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[3-[(Z)-4-iminobut-2-enimidoyl]-4a,5-dihydroquinolin-2-yl]piperidin-4-amine?
The IUPAC name of N-cyclohexyl-1-[3-[(Z)-4-iminobut-2-enimidoyl]-4a,5-dihydroquinolin-2-yl]piperidin-4-amine (CID 147405016) is N-cyclohexyl-1-[3-[(Z)-4-iminobut-2-enimidoyl]-4a,5-dihydroquinolin-2-yl]piperidin-4-amine.
What is the SMILES notation for N-cyclohexyl-1-[3-[(Z)-4-iminobut-2-enimidoyl]-4a,5-dihydroquinolin-2-yl]piperidin-4-amine?
The canonical SMILES for N-cyclohexyl-1-[3-[(Z)-4-iminobut-2-enimidoyl]-4a,5-dihydroquinolin-2-yl]piperidin-4-amine is [H]/N=C\C=C/C(=N\[H])C1=CC2CC=CC=C2N=C1N1CCC(NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-1-[3-[(Z)-4-iminobut-2-enimidoyl]-4a,5-dihydroquinolin-2-yl]piperidin-4-amine?
The InChIKey is DPMPJFWVMUAJHT-QHXZQOKLSA-N. The full InChI is InChI=1S/C24H33N5/c25-14-6-10-22(26)21-17-18-7-4-5-11-23(18)28-24(21)29-15-12-20(13-16-29)27-19-8-2-1-3-9-19/h4-6,10-11,14,17-20,25-27H,1-3,7-9,12-13,15-16H2/b10-6-,25-14-,26-22+.
What are the key properties of N-cyclohexyl-1-[3-[(Z)-4-iminobut-2-enimidoyl]-4a,5-dihydroquinolin-2-yl]piperidin-4-amine?
N-cyclohexyl-1-[3-[(Z)-4-iminobut-2-enimidoyl]-4a,5-dihydroquinolin-2-yl]piperidin-4-amine has a molecular weight of 391.56 g/mol, XLogP of 4.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[3-[(Z)-4-iminobut-2-enimidoyl]-4a,5-dihydroquinolin-2-yl]piperidin-4-amine is sourced from PubChem (CID 147405016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).