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

C13H23N3O — CID 103131417

IUPAC1-(1-ethoxycyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
SMILESCCOC1(C(NC)c2ccn(C)n2)CCCC1
InChIInChI=1S/C13H23N3O/c1-4-17-13(8-5-6-9-13)12(14-2)11-7-10-16(3)15-11/h7,10,12,14H,4-6,8-9H2,1-3H3
InChIKeyPHSUSMCXBDSXAF-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.03
Rot. Bonds5

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

1-(1-ethoxycyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine (PubChem CID 103131417) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(1-ethoxycyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(1-ethoxycyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
PubChem CID103131417
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(1-ethoxycyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
SMILESCCOC1(C(NC)c2ccn(C)n2)CCCC1
InChIInChI=1S/C13H23N3O/c1-4-17-13(8-5-6-9-13)12(14-2)11-7-10-16(3)15-11/h7,10,12,14H,4-6,8-9H2,1-3H3
InChIKeyPHSUSMCXBDSXAF-UHFFFAOYSA-N
XLogP2.03
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethoxycycloheptyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103131455
[(1-ethoxycyclopentyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103140671
N-[(1-ethoxycycloheptyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103131457
N-methyl-1-(1-methylpyrazol-3-yl)-1-(1-piperidin-1-ylcyclopentyl)methanamine
CID 103131090
1-(1-ethoxycyclopentyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116761869
[(1-ethylcyclopentyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103141044
1-[ethylamino-(1-methylpyrazol-3-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 103131095
1-(1-ethoxycycloheptyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 116770578
N-[(1-methylcyclopentyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103134493
1-(3,5-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 116761840
[(1-methylcyclopentyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103140915
1-(2,6-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 116810820

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of 1-(1-ethoxycyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine (CID 103131417) is 1-(1-ethoxycyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for 1-(1-ethoxycyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for 1-(1-ethoxycyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine is CCOC1(C(NC)c2ccn(C)n2)CCCC1.
What is the InChIKey of 1-(1-ethoxycyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is PHSUSMCXBDSXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-17-13(8-5-6-9-13)12(14-2)11-7-10-16(3)15-11/h7,10,12,14H,4-6,8-9H2,1-3H3.
What are the key properties of 1-(1-ethoxycyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
1-(1-ethoxycyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine has a molecular weight of 237.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 103131417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).