1-(3-ethylcyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine

C13H23N3 — CID 103130959

IUPAC1-(3-ethylcyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
SMILESCCC1CCC(C(NC)c2ccn(C)n2)C1
InChIInChI=1S/C13H23N3/c1-4-10-5-6-11(9-10)13(14-2)12-7-8-16(3)15-12/h7-8,10-11,13-14H,4-6,9H2,1-3H3
InChIKeyHONPDGKTMASCIR-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.51
Rot. Bonds4

About 1-(3-ethylcyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine

1-(3-ethylcyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine (PubChem CID 103130959) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(3-ethylcyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(3-ethylcyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
PubChem CID103130959
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(3-ethylcyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
SMILESCCC1CCC(C(NC)c2ccn(C)n2)C1
InChIInChI=1S/C13H23N3/c1-4-10-5-6-11(9-10)13(14-2)12-7-8-16(3)15-12/h7-8,10-11,13-14H,4-6,9H2,1-3H3
InChIKeyHONPDGKTMASCIR-UHFFFAOYSA-N
XLogP2.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrazol-3-yl)-(4-propylcyclohexyl)methyl]ethanamine
CID 103130946
[cyclopropyl-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 105228557
1-(3-ethylcyclopentyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
CID 65410037
N-methyl-1-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 103130976
1-(4-tert-butylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
CID 65412580
1-(3-ethylcyclopentyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 65410433
N-[(1-methylpyrazol-3-yl)-(thiolan-3-yl)methyl]ethanamine
CID 103135015
1-(2,3-dimethylphenyl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
CID 65412191
1-(3-ethylcyclopentyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 65411220
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
CID 114655712
1-(4-ethylcyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 64775844
1-(3-ethylcyclopentyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 65409640

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of 1-(3-ethylcyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine (CID 103130959) is 1-(3-ethylcyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for 1-(3-ethylcyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for 1-(3-ethylcyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine is CCC1CCC(C(NC)c2ccn(C)n2)C1.
What is the InChIKey of 1-(3-ethylcyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is HONPDGKTMASCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-10-5-6-11(9-10)13(14-2)12-7-8-16(3)15-12/h7-8,10-11,13-14H,4-6,9H2,1-3H3.
What are the key properties of 1-(3-ethylcyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
1-(3-ethylcyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine has a molecular weight of 221.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 103130959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).