2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine

C13H24N4 — CID 112668413

IUPAC2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
SMILESCCc1nn(C)cc1CNC1CCCC1CN
InChIInChI=1S/C13H24N4/c1-3-12-11(9-17(2)16-12)8-15-13-6-4-5-10(13)7-14/h9-10,13,15H,3-8,14H2,1-2H3
InChIKeyNBCWIIHPRMJVLA-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.20
Rot. Bonds5

About 2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine

2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine (PubChem CID 112668413) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
PubChem CID112668413
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
SMILESCCc1nn(C)cc1CNC1CCCC1CN
InChIInChI=1S/C13H24N4/c1-3-12-11(9-17(2)16-12)8-15-13-6-4-5-10(13)7-14/h9-10,13,15H,3-8,14H2,1-2H3
InChIKeyNBCWIIHPRMJVLA-UHFFFAOYSA-N
XLogP1.20
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 103893993
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylcyclopentan-1-amine
CID 112549510
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile
CID 112668826
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
CID 103917664
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 112668439
2-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 112549594
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106662742
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103893990
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine
CID 114817861
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-1-amine
CID 115989316
[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperidin-2-yl]methanamine
CID 112669983

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine (CID 112668413) is 2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine is CCc1nn(C)cc1CNC1CCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine?
The InChIKey is NBCWIIHPRMJVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-12-11(9-17(2)16-12)8-15-13-6-4-5-10(13)7-14/h9-10,13,15H,3-8,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine?
2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 112668413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).