3,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine

C16H29N3 — CID 114545880

IUPAC3,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
SMILESCCC(CC)n1ccc(CNC2CCC(C)(C)C2)n1
InChIInChI=1S/C16H29N3/c1-5-15(6-2)19-10-8-14(18-19)12-17-13-7-9-16(3,4)11-13/h8,10,13,15,17H,5-7,9,11-12H2,1-4H3
InChIKeyNAHRTDUURIYTTR-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.91
Rot. Bonds6

About 3,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine

3,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine (PubChem CID 114545880) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
PubChem CID114545880
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name3,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
SMILESCCC(CC)n1ccc(CNC2CCC(C)(C)C2)n1
InChIInChI=1S/C16H29N3/c1-5-15(6-2)19-10-8-14(18-19)12-17-13-7-9-16(3,4)11-13/h8,10,13,15,17H,5-7,9,11-12H2,1-4H3
InChIKeyNAHRTDUURIYTTR-UHFFFAOYSA-N
XLogP3.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine (CID 114545880) is 3,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine is CCC(CC)n1ccc(CNC2CCC(C)(C)C2)n1.
What is the InChIKey of 3,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine?
The InChIKey is NAHRTDUURIYTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-15(6-2)19-10-8-14(18-19)12-17-13-7-9-16(3,4)11-13/h8,10,13,15,17H,5-7,9,11-12H2,1-4H3.
What are the key properties of 3,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine?
3,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 114545880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).