2-methyl-N-(2-methylpropyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine

C16H31N3 — CID 64777112

IUPAC2-methyl-N-(2-methylpropyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine
SMILESCCC(CC)n1ccc(CC(C)CNCC(C)C)n1
InChIInChI=1S/C16H31N3/c1-6-16(7-2)19-9-8-15(18-19)10-14(5)12-17-11-13(3)4/h8-9,13-14,16-17H,6-7,10-12H2,1-5H3
InChIKeyGZNQIYYWHGOSEL-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.67
Rot. Bonds9

About 2-methyl-N-(2-methylpropyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine

2-methyl-N-(2-methylpropyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine (PubChem CID 64777112) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine
PubChem CID64777112
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2-methyl-N-(2-methylpropyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine
SMILESCCC(CC)n1ccc(CC(C)CNCC(C)C)n1
InChIInChI=1S/C16H31N3/c1-6-16(7-2)19-9-8-15(18-19)10-14(5)12-17-11-13(3)4/h8-9,13-14,16-17H,6-7,10-12H2,1-5H3
InChIKeyGZNQIYYWHGOSEL-UHFFFAOYSA-N
XLogP3.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[3-(1-pentan-3-ylpyrazol-3-yl)propyl]propan-1-amine
CID 64778089
3-(1-butan-2-ylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine
CID 64779069
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
N-ethyl-2-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-1-amine
CID 64777207
2-methyl-N-(2-methylpropyl)-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64777525
N-methyl-1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 65135128
1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine
CID 64777620
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
CID 64801963
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol
CID 64777467
N,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64773528
1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol
CID 64801613

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine (CID 64777112) is 2-methyl-N-(2-methylpropyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine is CCC(CC)n1ccc(CC(C)CNCC(C)C)n1.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine?
The InChIKey is GZNQIYYWHGOSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-6-16(7-2)19-9-8-15(18-19)10-14(5)12-17-11-13(3)4/h8-9,13-14,16-17H,6-7,10-12H2,1-5H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine?
2-methyl-N-(2-methylpropyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 64777112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).