2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethyl-N-propylbutan-1-amine

C17H33N3 — CID 83139603

IUPAC2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNCC(Cc1ccn(C(C)CC)n1)C(C)(C)C
InChIInChI=1S/C17H33N3/c1-7-10-18-13-15(17(4,5)6)12-16-9-11-20(19-16)14(3)8-2/h9,11,14-15,18H,7-8,10,12-13H2,1-6H3
InChIKeyXDKZRPJVEPSAJX-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.06
Rot. Bonds8

About 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethyl-N-propylbutan-1-amine

2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethyl-N-propylbutan-1-amine (PubChem CID 83139603) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethyl-N-propylbutan-1-amine
PubChem CID83139603
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNCC(Cc1ccn(C(C)CC)n1)C(C)(C)C
InChIInChI=1S/C17H33N3/c1-7-10-18-13-15(17(4,5)6)12-16-9-11-20(19-16)14(3)8-2/h9,11,14-15,18H,7-8,10,12-13H2,1-6H3
InChIKeyXDKZRPJVEPSAJX-UHFFFAOYSA-N
XLogP4.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine
CID 83139112
3-(1-butan-2-ylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine
CID 64779069
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethylbutan-1-ol
CID 83139654
1-(1-butan-2-ylpyrazol-3-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 64777425
1-(1-butan-2-ylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64777222
1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778795
5-(1-butan-2-ylpyrazol-3-yl)-N-propylpent-3-en-1-amine
CID 79590829
1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-N-propylhexan-2-amine
CID 104989878
N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 104989613
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 65194434
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
CID 64801963
1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-2-amine
CID 65020467

Frequently Asked Questions

What is the IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethyl-N-propylbutan-1-amine (CID 83139603) is 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethyl-N-propylbutan-1-amine is CCCNCC(Cc1ccn(C(C)CC)n1)C(C)(C)C.
What is the InChIKey of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethyl-N-propylbutan-1-amine?
The InChIKey is XDKZRPJVEPSAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-7-10-18-13-15(17(4,5)6)12-16-9-11-20(19-16)14(3)8-2/h9,11,14-15,18H,7-8,10,12-13H2,1-6H3.
What are the key properties of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethyl-N-propylbutan-1-amine?
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethyl-N-propylbutan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 83139603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).