2-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-2-N-propylbutane-1,2-diamine

C17H32N4 — CID 64801183

IUPAC2-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-2-N-propylbutane-1,2-diamine
SMILESCCCN(Cc1ccn(C2CCCC2)n1)C(C)(CC)CN
InChIInChI=1S/C17H32N4/c1-4-11-20(17(3,5-2)14-18)13-15-10-12-21(19-15)16-8-6-7-9-16/h10,12,16H,4-9,11,13-14,18H2,1-3H3
InChIKeyAFUIGNHMYBRIGP-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.34
Rot. Bonds8

About 2-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-2-N-propylbutane-1,2-diamine

2-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-2-N-propylbutane-1,2-diamine (PubChem CID 64801183) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-2-N-propylbutane-1,2-diamine
PubChem CID64801183
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name2-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-2-N-propylbutane-1,2-diamine
SMILESCCCN(Cc1ccn(C2CCCC2)n1)C(C)(CC)CN
InChIInChI=1S/C17H32N4/c1-4-11-20(17(3,5-2)14-18)13-15-10-12-21(19-15)16-8-6-7-9-16/h10,12,16H,4-9,11,13-14,18H2,1-3H3
InChIKeyAFUIGNHMYBRIGP-UHFFFAOYSA-N
XLogP3.34
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-N-[(1-methylpyrazol-3-yl)methyl]-2-N-propylbutane-1,2-diamine
CID 82865398
2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-1-amine
CID 64779672
N'-[(1-cyclohexylpyrazol-3-yl)methyl]-N'-ethylpropane-1,3-diamine
CID 64800217
N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 64800221
N'-cyclohexyl-N'-[(1-cyclopentylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 64779957
4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
CID 81013541
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-[(1-cyclohexylpyrazol-3-yl)methoxy]-2-methylbutan-2-amine
CID 64785357
N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine
CID 64801182
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
CID 64801383
3-[(1-cyclohexylpyrazol-3-yl)methoxymethyl]pentan-3-amine
CID 64784969
2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]butanoic acid
CID 106487455

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-2-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-2-N-propylbutane-1,2-diamine (CID 64801183) is 2-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-2-N-propylbutane-1,2-diamine is CCCN(Cc1ccn(C2CCCC2)n1)C(C)(CC)CN.
What is the InChIKey of 2-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-2-N-propylbutane-1,2-diamine?
The InChIKey is AFUIGNHMYBRIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-4-11-20(17(3,5-2)14-18)13-15-10-12-21(19-15)16-8-6-7-9-16/h10,12,16H,4-9,11,13-14,18H2,1-3H3.
What are the key properties of 2-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-2-N-propylbutane-1,2-diamine?
2-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-2-N-propylbutane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 64801183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).