5-(4-methoxycyclohexyl)-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethoxy]cyclohexyl]-1,3-diazinan-2-amine

C29H56N6O3 — CID 140515870

IUPAC5-(4-methoxycyclohexyl)-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethoxy]cyclohexyl]-1,3-diazinan-2-amine
SMILESCOC1CCC(C2CNC(NC3CCC(OCCN4CCN(CCN5CCOCC5)CC4)CC3)NC2)CC1
InChIInChI=1S/C29H56N6O3/c1-36-27-6-2-24(3-7-27)25-22-30-29(31-23-25)32-26-4-8-28(9-5-26)38-21-18-34-13-10-33(11-14-34)12-15-35-16-19-37-20-17-35/h24-32H,2-23H2,1H3
InChIKeyOMMATFXIPLPHDM-UHFFFAOYSA-N
MW536.81 g/mol
LogP1.15
Rot. Bonds11

About 5-(4-methoxycyclohexyl)-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethoxy]cyclohexyl]-1,3-diazinan-2-amine

5-(4-methoxycyclohexyl)-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethoxy]cyclohexyl]-1,3-diazinan-2-amine (PubChem CID 140515870) has the molecular formula C29H56N6O3 and a molecular weight of 536.81 g/mol. Its IUPAC name is 5-(4-methoxycyclohexyl)-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethoxy]cyclohexyl]-1,3-diazinan-2-amine.

Molecular Properties

Compound Name5-(4-methoxycyclohexyl)-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethoxy]cyclohexyl]-1,3-diazinan-2-amine
PubChem CID140515870
Molecular FormulaC29H56N6O3
Molecular Weight536.81 g/mol
Exact Mass536.44
IUPAC Name5-(4-methoxycyclohexyl)-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethoxy]cyclohexyl]-1,3-diazinan-2-amine
SMILESCOC1CCC(C2CNC(NC3CCC(OCCN4CCN(CCN5CCOCC5)CC4)CC3)NC2)CC1
InChIInChI=1S/C29H56N6O3/c1-36-27-6-2-24(3-7-27)25-22-30-29(31-23-25)32-26-4-8-28(9-5-26)38-21-18-34-13-10-33(11-14-34)12-15-35-16-19-37-20-17-35/h24-32H,2-23H2,1H3
InChIKeyOMMATFXIPLPHDM-UHFFFAOYSA-N
XLogP1.15
TPSA73.50 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.81
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-(4-methoxycyclohexyl)-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethoxy]cyclohexyl]-1,3-diazinan-2-amine with MolForge

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Related Compounds

N-[4-[2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]ethoxy]cyclohexyl]-5-(4-methoxycyclohexyl)-1,3-diazinan-2-amine
CID 140515824
tert-butyl 2-[[4-[2-[[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethoxy]cyclohexyl]amino]-1,3-diazinan-5-yl]cyclohexanecarbonyl]amino]acetate
CID 140516021
5-(4-methylcyclohexyl)-N-[4-(2-piperazin-1-ylethoxy)cyclohexyl]-1,3-diazinan-2-amine;molecular hydrogen
CID 143432935
methyl (2S,4R)-4-hydroxy-1-[2-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]oxyethyl]pyrrolidine-2-carboxylate
CID 140515777
5-(4-methoxycyclohexyl)-N-[4-[2-[methyl(prop-2-ynyl)amino]ethoxy]cyclohexyl]-1,3-diazinan-2-amine
CID 140516084
methyl 2-[1-[2-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]ethyl]piperidin-4-yl]acetate
CID 140516012
1-[2-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]ethyl]piperidine-4-carboxamide
CID 140515938
ethyl 2-[1-[2-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]ethyl]piperidin-4-yl]acetate
CID 140516163
[3-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]methanone
CID 140515820
4-[2-(4-propan-2-ylcyclohexyl)oxyethyl]morpholine
CID 71234494
[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 140516044
N-[1-[[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]methyl]pyrrolidin-3-yl]-N-methylacetamide
CID 140515848

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxycyclohexyl)-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethoxy]cyclohexyl]-1,3-diazinan-2-amine?
The IUPAC name of 5-(4-methoxycyclohexyl)-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethoxy]cyclohexyl]-1,3-diazinan-2-amine (CID 140515870) is 5-(4-methoxycyclohexyl)-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethoxy]cyclohexyl]-1,3-diazinan-2-amine.
What is the SMILES notation for 5-(4-methoxycyclohexyl)-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethoxy]cyclohexyl]-1,3-diazinan-2-amine?
The canonical SMILES for 5-(4-methoxycyclohexyl)-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethoxy]cyclohexyl]-1,3-diazinan-2-amine is COC1CCC(C2CNC(NC3CCC(OCCN4CCN(CCN5CCOCC5)CC4)CC3)NC2)CC1.
What is the InChIKey of 5-(4-methoxycyclohexyl)-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethoxy]cyclohexyl]-1,3-diazinan-2-amine?
The InChIKey is OMMATFXIPLPHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H56N6O3/c1-36-27-6-2-24(3-7-27)25-22-30-29(31-23-25)32-26-4-8-28(9-5-26)38-21-18-34-13-10-33(11-14-34)12-15-35-16-19-37-20-17-35/h24-32H,2-23H2,1H3.
What are the key properties of 5-(4-methoxycyclohexyl)-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethoxy]cyclohexyl]-1,3-diazinan-2-amine?
5-(4-methoxycyclohexyl)-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethoxy]cyclohexyl]-1,3-diazinan-2-amine has a molecular weight of 536.81 g/mol, XLogP of 1.15, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxycyclohexyl)-N-[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethoxy]cyclohexyl]-1,3-diazinan-2-amine is sourced from PubChem (CID 140515870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).