2,2-dimethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopentan-1-amine

C15H27N3 — CID 79862119

IUPAC2,2-dimethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopentan-1-amine
SMILESCC(C)c1nn(C)cc1CNC1CCCC1(C)C
InChIInChI=1S/C15H27N3/c1-11(2)14-12(10-18(5)17-14)9-16-13-7-6-8-15(13,3)4/h10-11,13,16H,6-9H2,1-5H3
InChIKeyBUZROLQYUPINIL-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.21
Rot. Bonds4

About 2,2-dimethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopentan-1-amine

2,2-dimethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopentan-1-amine (PubChem CID 79862119) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopentan-1-amine
PubChem CID79862119
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2,2-dimethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopentan-1-amine
SMILESCC(C)c1nn(C)cc1CNC1CCCC1(C)C
InChIInChI=1S/C15H27N3/c1-11(2)14-12(10-18(5)17-14)9-16-13-7-6-8-15(13,3)4/h10-11,13,16H,6-9H2,1-5H3
InChIKeyBUZROLQYUPINIL-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopentan-1-amine (CID 79862119) is 2,2-dimethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopentan-1-amine is CC(C)c1nn(C)cc1CNC1CCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopentan-1-amine?
The InChIKey is BUZROLQYUPINIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-11(2)14-12(10-18(5)17-14)9-16-13-7-6-8-15(13,3)4/h10-11,13,16H,6-9H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopentan-1-amine?
2,2-dimethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopentan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 79862119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).