N,N'-dimethyl-N'-[(3-spiro[4.5]decan-8-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]ethane-1,2-diamine

C21H36N4 — CID 139456716

IUPACN,N'-dimethyl-N'-[(3-spiro[4.5]decan-8-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]ethane-1,2-diamine
SMILESCNCCN(C)Cc1nn2c(c1C1CCC3(CCCC3)CC1)CCC2
InChIInChI=1S/C21H36N4/c1-22-13-15-24(2)16-18-20(19-6-5-14-25(19)23-18)17-7-11-21(12-8-17)9-3-4-10-21/h17,22H,3-16H2,1-2H3
InChIKeyHDLMOUYGUDJTRP-UHFFFAOYSA-N
MW344.55 g/mol
LogP3.70
Rot. Bonds6

About N,N'-dimethyl-N'-[(3-spiro[4.5]decan-8-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]ethane-1,2-diamine

N,N'-dimethyl-N'-[(3-spiro[4.5]decan-8-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]ethane-1,2-diamine (PubChem CID 139456716) has the molecular formula C21H36N4 and a molecular weight of 344.55 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[(3-spiro[4.5]decan-8-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[(3-spiro[4.5]decan-8-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]ethane-1,2-diamine
PubChem CID139456716
Molecular FormulaC21H36N4
Molecular Weight344.55 g/mol
Exact Mass344.29
IUPAC NameN,N'-dimethyl-N'-[(3-spiro[4.5]decan-8-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]ethane-1,2-diamine
SMILESCNCCN(C)Cc1nn2c(c1C1CCC3(CCCC3)CC1)CCC2
InChIInChI=1S/C21H36N4/c1-22-13-15-24(2)16-18-20(19-6-5-14-25(19)23-18)17-7-11-21(12-8-17)9-3-4-10-21/h17,22H,3-16H2,1-2H3
InChIKeyHDLMOUYGUDJTRP-UHFFFAOYSA-N
XLogP3.70
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.55
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N'-dimethyl-N'-[(3-spiro[4.5]decan-8-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]ethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[(3-spiro[4.5]decan-8-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[(3-spiro[4.5]decan-8-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]ethane-1,2-diamine (CID 139456716) is N,N'-dimethyl-N'-[(3-spiro[4.5]decan-8-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[(3-spiro[4.5]decan-8-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[(3-spiro[4.5]decan-8-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]ethane-1,2-diamine is CNCCN(C)Cc1nn2c(c1C1CCC3(CCCC3)CC1)CCC2.
What is the InChIKey of N,N'-dimethyl-N'-[(3-spiro[4.5]decan-8-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is HDLMOUYGUDJTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4/c1-22-13-15-24(2)16-18-20(19-6-5-14-25(19)23-18)17-7-11-21(12-8-17)9-3-4-10-21/h17,22H,3-16H2,1-2H3.
What are the key properties of N,N'-dimethyl-N'-[(3-spiro[4.5]decan-8-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[(3-spiro[4.5]decan-8-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 344.55 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[(3-spiro[4.5]decan-8-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 139456716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).