5-(4-methylcyclohexyl)-N-[4-(2-piperazin-1-ylethoxy)cyclohexyl]-1,3-diazinan-2-amine;molecular hydrogen

C23H47N5O — CID 143432935

IUPAC5-(4-methylcyclohexyl)-N-[4-(2-piperazin-1-ylethoxy)cyclohexyl]-1,3-diazinan-2-amine;molecular hydrogen
SMILESCC1CCC(C2CNC(NC3CCC(OCCN4CCNCC4)CC3)NC2)CC1.[H][H]
InChIInChI=1S/C23H45N5O.H2/c1-18-2-4-19(5-3-18)20-16-25-23(26-17-20)27-21-6-8-22(9-7-21)29-15-14-28-12-10-24-11-13-28;/h18-27H,2-17H2,1H3;1H
InChIKeyVLGSMZQOPZPLMG-UHFFFAOYSA-N
MW409.66 g/mol
LogP1.97
Rot. Bonds7

About 5-(4-methylcyclohexyl)-N-[4-(2-piperazin-1-ylethoxy)cyclohexyl]-1,3-diazinan-2-amine;molecular hydrogen

5-(4-methylcyclohexyl)-N-[4-(2-piperazin-1-ylethoxy)cyclohexyl]-1,3-diazinan-2-amine;molecular hydrogen (PubChem CID 143432935) has the molecular formula C23H47N5O and a molecular weight of 409.66 g/mol. Its IUPAC name is 5-(4-methylcyclohexyl)-N-[4-(2-piperazin-1-ylethoxy)cyclohexyl]-1,3-diazinan-2-amine;molecular hydrogen.

Molecular Properties

Compound Name5-(4-methylcyclohexyl)-N-[4-(2-piperazin-1-ylethoxy)cyclohexyl]-1,3-diazinan-2-amine;molecular hydrogen
PubChem CID143432935
Molecular FormulaC23H47N5O
Molecular Weight409.66 g/mol
Exact Mass409.38
IUPAC Name5-(4-methylcyclohexyl)-N-[4-(2-piperazin-1-ylethoxy)cyclohexyl]-1,3-diazinan-2-amine;molecular hydrogen
SMILESCC1CCC(C2CNC(NC3CCC(OCCN4CCNCC4)CC3)NC2)CC1.[H][H]
InChIInChI=1S/C23H45N5O.H2/c1-18-2-4-19(5-3-18)20-16-25-23(26-17-20)27-21-6-8-22(9-7-21)29-15-14-28-12-10-24-11-13-28;/h18-27H,2-17H2,1H3;1H
InChIKeyVLGSMZQOPZPLMG-UHFFFAOYSA-N
XLogP1.97
TPSA60.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.66
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylcyclohexyl)-N-[4-(2-piperazin-1-ylethoxy)cyclohexyl]-1,3-diazinan-2-amine;molecular hydrogen?
The IUPAC name of 5-(4-methylcyclohexyl)-N-[4-(2-piperazin-1-ylethoxy)cyclohexyl]-1,3-diazinan-2-amine;molecular hydrogen (CID 143432935) is 5-(4-methylcyclohexyl)-N-[4-(2-piperazin-1-ylethoxy)cyclohexyl]-1,3-diazinan-2-amine;molecular hydrogen.
What is the SMILES notation for 5-(4-methylcyclohexyl)-N-[4-(2-piperazin-1-ylethoxy)cyclohexyl]-1,3-diazinan-2-amine;molecular hydrogen?
The canonical SMILES for 5-(4-methylcyclohexyl)-N-[4-(2-piperazin-1-ylethoxy)cyclohexyl]-1,3-diazinan-2-amine;molecular hydrogen is CC1CCC(C2CNC(NC3CCC(OCCN4CCNCC4)CC3)NC2)CC1.[H][H].
What is the InChIKey of 5-(4-methylcyclohexyl)-N-[4-(2-piperazin-1-ylethoxy)cyclohexyl]-1,3-diazinan-2-amine;molecular hydrogen?
The InChIKey is VLGSMZQOPZPLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N5O.H2/c1-18-2-4-19(5-3-18)20-16-25-23(26-17-20)27-21-6-8-22(9-7-21)29-15-14-28-12-10-24-11-13-28;/h18-27H,2-17H2,1H3;1H.
What are the key properties of 5-(4-methylcyclohexyl)-N-[4-(2-piperazin-1-ylethoxy)cyclohexyl]-1,3-diazinan-2-amine;molecular hydrogen?
5-(4-methylcyclohexyl)-N-[4-(2-piperazin-1-ylethoxy)cyclohexyl]-1,3-diazinan-2-amine;molecular hydrogen has a molecular weight of 409.66 g/mol, XLogP of 1.97, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylcyclohexyl)-N-[4-(2-piperazin-1-ylethoxy)cyclohexyl]-1,3-diazinan-2-amine;molecular hydrogen is sourced from PubChem (CID 143432935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).