4-[[4-(4-ethylcyclohexyl)piperazin-1-yl]methyl]-6-[(Z)-(3-methylcyclohexylidene)methyl]-1,3,5-triazinan-2-amine

C24H46N6 — CID 140901287

IUPAC4-[[4-(4-ethylcyclohexyl)piperazin-1-yl]methyl]-6-[(Z)-(3-methylcyclohexylidene)methyl]-1,3,5-triazinan-2-amine
SMILESCCC1CCC(N2CCN(CC3NC(N)NC(/C=C4/CCCC(C)C4)N3)CC2)CC1
InChIInChI=1S/C24H46N6/c1-3-19-7-9-21(10-8-19)30-13-11-29(12-14-30)17-23-26-22(27-24(25)28-23)16-20-6-4-5-18(2)15-20/h16,18-19,21-24,26-28H,3-15,17,25H2,1-2H3/b20-16-
InChIKeyDQDIBWWMFXPHGI-SILNSSARSA-N
MW418.67 g/mol
LogP2.39
Rot. Bonds5

About 4-[[4-(4-ethylcyclohexyl)piperazin-1-yl]methyl]-6-[(Z)-(3-methylcyclohexylidene)methyl]-1,3,5-triazinan-2-amine

4-[[4-(4-ethylcyclohexyl)piperazin-1-yl]methyl]-6-[(Z)-(3-methylcyclohexylidene)methyl]-1,3,5-triazinan-2-amine (PubChem CID 140901287) has the molecular formula C24H46N6 and a molecular weight of 418.67 g/mol. Its IUPAC name is 4-[[4-(4-ethylcyclohexyl)piperazin-1-yl]methyl]-6-[(Z)-(3-methylcyclohexylidene)methyl]-1,3,5-triazinan-2-amine.

Molecular Properties

Compound Name4-[[4-(4-ethylcyclohexyl)piperazin-1-yl]methyl]-6-[(Z)-(3-methylcyclohexylidene)methyl]-1,3,5-triazinan-2-amine
PubChem CID140901287
Molecular FormulaC24H46N6
Molecular Weight418.67 g/mol
Exact Mass418.38
IUPAC Name4-[[4-(4-ethylcyclohexyl)piperazin-1-yl]methyl]-6-[(Z)-(3-methylcyclohexylidene)methyl]-1,3,5-triazinan-2-amine
SMILESCCC1CCC(N2CCN(CC3NC(N)NC(/C=C4/CCCC(C)C4)N3)CC2)CC1
InChIInChI=1S/C24H46N6/c1-3-19-7-9-21(10-8-19)30-13-11-29(12-14-30)17-23-26-22(27-24(25)28-23)16-20-6-4-5-18(2)15-20/h16,18-19,21-24,26-28H,3-15,17,25H2,1-2H3/b20-16-
InChIKeyDQDIBWWMFXPHGI-SILNSSARSA-N
XLogP2.39
TPSA68.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.67
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[[4-(4-ethylcyclohexyl)piperazin-1-yl]methyl]-6-[(Z)-(3-methylcyclohexylidene)methyl]-1,3,5-triazinan-2-amine with MolForge

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Related Compounds

2-N-[(1S)-1-(4-fluorocyclohexen-1-yl)ethyl]-4-(4-fluorocyclohexyl)-6-N-piperazin-2-ylpiperidine-2,6-diamine
CID 89952017
4-[8-Methyl-6-(4-methylpiperazin-1-yl)tridec-7-en-3-yl]piperidin-3-amine
CID 123378776
2-N-[1-[[5-(6-aminocyclohexa-2,4-dien-1-yl)-4-methylcyclohexa-2,4-dien-1-yl]-(6-methylcyclohexa-2,4-dien-1-yl)amino]ethyl]cyclohexa-3,5-diene-1,2-diamine
CID 129109457
3-(4-aminocyclohexyl)-5-[(4S)-4-[(4-methylpiperazin-1-yl)methyl]cyclohexen-1-yl]piperidin-2-amine
CID 129135556
2-N-(4-ethylcyclohexyl)-6-[[4-(4-ethylidenecyclohexyl)piperazin-1-yl]methyl]-1,3,5-triazinane-2,4-diamine
CID 141676988
4-[(Z)-8-methyl-6-(4-methylpiperazin-1-yl)dec-7-en-3-yl]piperidin-3-amine
CID 144642075

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-ethylcyclohexyl)piperazin-1-yl]methyl]-6-[(Z)-(3-methylcyclohexylidene)methyl]-1,3,5-triazinan-2-amine?
The IUPAC name of 4-[[4-(4-ethylcyclohexyl)piperazin-1-yl]methyl]-6-[(Z)-(3-methylcyclohexylidene)methyl]-1,3,5-triazinan-2-amine (CID 140901287) is 4-[[4-(4-ethylcyclohexyl)piperazin-1-yl]methyl]-6-[(Z)-(3-methylcyclohexylidene)methyl]-1,3,5-triazinan-2-amine.
What is the SMILES notation for 4-[[4-(4-ethylcyclohexyl)piperazin-1-yl]methyl]-6-[(Z)-(3-methylcyclohexylidene)methyl]-1,3,5-triazinan-2-amine?
The canonical SMILES for 4-[[4-(4-ethylcyclohexyl)piperazin-1-yl]methyl]-6-[(Z)-(3-methylcyclohexylidene)methyl]-1,3,5-triazinan-2-amine is CCC1CCC(N2CCN(CC3NC(N)NC(/C=C4/CCCC(C)C4)N3)CC2)CC1.
What is the InChIKey of 4-[[4-(4-ethylcyclohexyl)piperazin-1-yl]methyl]-6-[(Z)-(3-methylcyclohexylidene)methyl]-1,3,5-triazinan-2-amine?
The InChIKey is DQDIBWWMFXPHGI-SILNSSARSA-N. The full InChI is InChI=1S/C24H46N6/c1-3-19-7-9-21(10-8-19)30-13-11-29(12-14-30)17-23-26-22(27-24(25)28-23)16-20-6-4-5-18(2)15-20/h16,18-19,21-24,26-28H,3-15,17,25H2,1-2H3/b20-16-.
What are the key properties of 4-[[4-(4-ethylcyclohexyl)piperazin-1-yl]methyl]-6-[(Z)-(3-methylcyclohexylidene)methyl]-1,3,5-triazinan-2-amine?
4-[[4-(4-ethylcyclohexyl)piperazin-1-yl]methyl]-6-[(Z)-(3-methylcyclohexylidene)methyl]-1,3,5-triazinan-2-amine has a molecular weight of 418.67 g/mol, XLogP of 2.39, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-ethylcyclohexyl)piperazin-1-yl]methyl]-6-[(Z)-(3-methylcyclohexylidene)methyl]-1,3,5-triazinan-2-amine is sourced from PubChem (CID 140901287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).