2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine

C18H35N3 — CID 83141535

IUPAC2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCCc1cc(CC(CNCC(C)C)C(C)(C)C)n(CC)n1
InChIInChI=1S/C18H35N3/c1-8-16-11-17(21(9-2)20-16)10-15(18(5,6)7)13-19-12-14(3)4/h11,14-15,19H,8-10,12-13H2,1-7H3
InChIKeyXZZFJWOZODEZAE-UHFFFAOYSA-N
MW293.50 g/mol
LogP3.92
Rot. Bonds8

About 2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine

2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 83141535) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
PubChem CID83141535
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCCc1cc(CC(CNCC(C)C)C(C)(C)C)n(CC)n1
InChIInChI=1S/C18H35N3/c1-8-16-11-17(21(9-2)20-16)10-15(18(5,6)7)13-19-12-14(3)4/h11,14-15,19H,8-10,12-13H2,1-7H3
InChIKeyXZZFJWOZODEZAE-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylbutan-1-amine
CID 83141508
1-(1,3-diethylpyrazol-5-yl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66001476
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83138444
4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine
CID 81013547
1-[(1,3-diethylpyrazol-5-yl)methylamino]-2,4-dimethylpentan-2-ol
CID 66171847
1-(1,3-diethylpyrazol-5-yl)-2-N,3-N,3-N,3-tetramethylpentane-2,3-diamine
CID 79064585
2-ethyl-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83138954
1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol
CID 103449476
[1-(1,3-diethylpyrazol-5-yl)-3-methylpentan-2-yl]hydrazine
CID 105219741
1-(1,3-diethylpyrazol-5-yl)-N-methylhexan-2-amine
CID 79404804
1-[1-ethyl-5-(2-methylpropyl)pyrazol-3-yl]-N-methylmethanamine
CID 105449455
3,3-dimethyl-N-(2-methylpropyl)-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 83139055

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine (CID 83141535) is 2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine is CCc1cc(CC(CNCC(C)C)C(C)(C)C)n(CC)n1.
What is the InChIKey of 2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is XZZFJWOZODEZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-8-16-11-17(21(9-2)20-16)10-15(18(5,6)7)13-19-12-14(3)4/h11,14-15,19H,8-10,12-13H2,1-7H3.
What are the key properties of 2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 83141535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).