N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine

C15H28N4 — CID 64801182

IUPACN'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine
SMILESCCN(Cc1ccn(C2CCCC2)n1)CC(C)CN
InChIInChI=1S/C15H28N4/c1-3-18(11-13(2)10-16)12-14-8-9-19(17-14)15-6-4-5-7-15/h8-9,13,15H,3-7,10-12,16H2,1-2H3
InChIKeyXJRQTAPTKZCXAR-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.41
Rot. Bonds7

About N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine

N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine (PubChem CID 64801182) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine
PubChem CID64801182
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine
SMILESCCN(Cc1ccn(C2CCCC2)n1)CC(C)CN
InChIInChI=1S/C15H28N4/c1-3-18(11-13(2)10-16)12-14-8-9-19(17-14)15-6-4-5-7-15/h8-9,13,15H,3-7,10-12,16H2,1-2H3
InChIKeyXJRQTAPTKZCXAR-UHFFFAOYSA-N
XLogP2.41
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
CID 81013541
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106632392
2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778280
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
1-(1-cyclohexylpyrazol-3-yl)-4-methylhexan-2-amine
CID 104987864
1-cyclohexyl-3-ethylpyrazole
CID 66014335
3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine
CID 112562613
3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole
CID 64778967
4-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]butan-2-ol
CID 113259203

Frequently Asked Questions

What is the IUPAC name of N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine?
The IUPAC name of N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine (CID 64801182) is N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine?
The canonical SMILES for N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine is CCN(Cc1ccn(C2CCCC2)n1)CC(C)CN.
What is the InChIKey of N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine?
The InChIKey is XJRQTAPTKZCXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-18(11-13(2)10-16)12-14-8-9-19(17-14)15-6-4-5-7-15/h8-9,13,15H,3-7,10-12,16H2,1-2H3.
What are the key properties of N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine?
N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine has a molecular weight of 264.42 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine is sourced from PubChem (CID 64801182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).