N'-(cyclopentylmethyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

C13H24N4 — CID 115291313

IUPACN'-(cyclopentylmethyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCN(CC1CCCC1)CC(N)c1cnn(C)c1
InChIInChI=1S/C13H24N4/c1-16(8-11-5-3-4-6-11)10-13(14)12-7-15-17(2)9-12/h7,9,11,13H,3-6,8,10,14H2,1-2H3
InChIKeyUBFDQOQDFKBVNN-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.54
Rot. Bonds5

About N'-(cyclopentylmethyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

N'-(cyclopentylmethyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 115291313) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-(cyclopentylmethyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclopentylmethyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID115291313
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN'-(cyclopentylmethyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCN(CC1CCCC1)CC(N)c1cnn(C)c1
InChIInChI=1S/C13H24N4/c1-16(8-11-5-3-4-6-11)10-13(14)12-7-15-17(2)9-12/h7,9,11,13H,3-6,8,10,14H2,1-2H3
InChIKeyUBFDQOQDFKBVNN-UHFFFAOYSA-N
XLogP1.54
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291322
N'-methyl-1-(1-methylpyrazol-4-yl)-N'-propylethane-1,2-diamine
CID 115291130
N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291370
N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112660793
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722
1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine
CID 115291096
2-cyclopentylsulfanyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 65138602
N'-(cyclopentylmethyl)-N'-methyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 63631762
1-(4-tert-butylphenyl)-N'-(cyclobutylmethyl)-N'-methylethane-1,2-diamine
CID 62861303
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 113280046
N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 115291144
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopentylmethyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(cyclopentylmethyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (CID 115291313) is N'-(cyclopentylmethyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(cyclopentylmethyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(cyclopentylmethyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is CN(CC1CCCC1)CC(N)c1cnn(C)c1.
What is the InChIKey of N'-(cyclopentylmethyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is UBFDQOQDFKBVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-16(8-11-5-3-4-6-11)10-13(14)12-7-15-17(2)9-12/h7,9,11,13H,3-6,8,10,14H2,1-2H3.
What are the key properties of N'-(cyclopentylmethyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
N'-(cyclopentylmethyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopentylmethyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 115291313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).