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

C17H31N3 — CID 81028346

IUPAC2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCCC1Cc1ccn(C(C)C)n1
InChIInChI=1S/C17H31N3/c1-13(2)11-18-12-16-7-5-6-15(16)10-17-8-9-20(19-17)14(3)4/h8-9,13-16,18H,5-7,10-12H2,1-4H3
InChIKeyJGRSHHTYZIZEKP-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.67
Rot. Bonds7

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

2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentyl]methyl]propan-1-amine (PubChem CID 81028346) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentyl]methyl]propan-1-amine
PubChem CID81028346
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCCC1Cc1ccn(C(C)C)n1
InChIInChI=1S/C17H31N3/c1-13(2)11-18-12-16-7-5-6-15(16)10-17-8-9-20(19-17)14(3)4/h8-9,13-16,18H,5-7,10-12H2,1-4H3
InChIKeyJGRSHHTYZIZEKP-UHFFFAOYSA-N
XLogP3.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81027054
N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81026099
2-methyl-N-[[2-(pyridin-2-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 81028060
2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol
CID 64772657
N-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine
CID 81028227
2-methyl-N-[[2-[(4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81027821
N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027303
N-[[2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81027589
1-[4-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 81032455
4-[(1-propan-2-ylpyrazol-3-yl)methyl]thiolan-3-ol
CID 83190389
2-methyl-N-[[2-[(1-methylimidazol-2-yl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81025135
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclobutanamine
CID 64771100

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentyl]methyl]propan-1-amine (CID 81028346) is 2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentyl]methyl]propan-1-amine is CC(C)CNCC1CCCC1Cc1ccn(C(C)C)n1.
What is the InChIKey of 2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentyl]methyl]propan-1-amine?
The InChIKey is JGRSHHTYZIZEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-13(2)11-18-12-16-7-5-6-15(16)10-17-8-9-20(19-17)14(3)4/h8-9,13-16,18H,5-7,10-12H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentyl]methyl]propan-1-amine?
2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentyl]methyl]propan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 81028346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).