N'-[[3-[4-(ethoxymethyl)-4-ethylcyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine

C22H40N4O — CID 139451373

IUPACN'-[[3-[4-(ethoxymethyl)-4-ethylcyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCCOCC1(CC)CCC(c2c(CN(C)CCNC)nn3c2CCC3)CC1
InChIInChI=1S/C22H40N4O/c1-5-22(17-27-6-2)11-9-18(10-12-22)21-19(16-25(4)15-13-23-3)24-26-14-7-8-20(21)26/h18,23H,5-17H2,1-4H3
InChIKeyIXLUTLJWFUDLFV-UHFFFAOYSA-N
MW376.59 g/mol
LogP3.57
Rot. Bonds10

About N'-[[3-[4-(ethoxymethyl)-4-ethylcyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine

N'-[[3-[4-(ethoxymethyl)-4-ethylcyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 139451373) has the molecular formula C22H40N4O and a molecular weight of 376.59 g/mol. Its IUPAC name is N'-[[3-[4-(ethoxymethyl)-4-ethylcyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[3-[4-(ethoxymethyl)-4-ethylcyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID139451373
Molecular FormulaC22H40N4O
Molecular Weight376.59 g/mol
Exact Mass376.32
IUPAC NameN'-[[3-[4-(ethoxymethyl)-4-ethylcyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCCOCC1(CC)CCC(c2c(CN(C)CCNC)nn3c2CCC3)CC1
InChIInChI=1S/C22H40N4O/c1-5-22(17-27-6-2)11-9-18(10-12-22)21-19(16-25(4)15-13-23-3)24-26-14-7-8-20(21)26/h18,23H,5-17H2,1-4H3
InChIKeyIXLUTLJWFUDLFV-UHFFFAOYSA-N
XLogP3.57
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.59
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-[[3-[4-(ethoxymethyl)-4-ethylcyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-[[3-[4-(ethoxymethyl)-4-ethylcyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[[3-[4-(ethoxymethyl)-4-ethylcyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine (CID 139451373) is N'-[[3-[4-(ethoxymethyl)-4-ethylcyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[3-[4-(ethoxymethyl)-4-ethylcyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[[3-[4-(ethoxymethyl)-4-ethylcyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine is CCOCC1(CC)CCC(c2c(CN(C)CCNC)nn3c2CCC3)CC1.
What is the InChIKey of N'-[[3-[4-(ethoxymethyl)-4-ethylcyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is IXLUTLJWFUDLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O/c1-5-22(17-27-6-2)11-9-18(10-12-22)21-19(16-25(4)15-13-23-3)24-26-14-7-8-20(21)26/h18,23H,5-17H2,1-4H3.
What are the key properties of N'-[[3-[4-(ethoxymethyl)-4-ethylcyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[[3-[4-(ethoxymethyl)-4-ethylcyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 376.59 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-[4-(ethoxymethyl)-4-ethylcyclohexyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 139451373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).