1-(aminomethyl)-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentan-1-amine

C14H26N4 — CID 64772866

IUPAC1-(aminomethyl)-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
SMILESCC(C)n1ccc(CN(C)C2(CN)CCCC2)n1
InChIInChI=1S/C14H26N4/c1-12(2)18-9-6-13(16-18)10-17(3)14(11-15)7-4-5-8-14/h6,9,12H,4-5,7-8,10-11,15H2,1-3H3
InChIKeyHABCSEIDCOISFT-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.17
Rot. Bonds5

About 1-(aminomethyl)-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentan-1-amine

1-(aminomethyl)-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentan-1-amine (PubChem CID 64772866) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
PubChem CID64772866
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-(aminomethyl)-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
SMILESCC(C)n1ccc(CN(C)C2(CN)CCCC2)n1
InChIInChI=1S/C14H26N4/c1-12(2)18-9-6-13(16-18)10-17(3)14(11-15)7-4-5-8-14/h6,9,12H,4-5,7-8,10-11,15H2,1-3H3
InChIKeyHABCSEIDCOISFT-UHFFFAOYSA-N
XLogP2.17
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentan-1-amine (CID 64772866) is 1-(aminomethyl)-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentan-1-amine is CC(C)n1ccc(CN(C)C2(CN)CCCC2)n1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentan-1-amine?
The InChIKey is HABCSEIDCOISFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-12(2)18-9-6-13(16-18)10-17(3)14(11-15)7-4-5-8-14/h6,9,12H,4-5,7-8,10-11,15H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentan-1-amine?
1-(aminomethyl)-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 64772866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).