2,2,3,3-tetramethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopropan-1-amine

C16H29N3 — CID 79359126

IUPAC2,2,3,3-tetramethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopropan-1-amine
SMILESCCC(CC)n1ccc(CNC2C(C)(C)C2(C)C)n1
InChIInChI=1S/C16H29N3/c1-7-13(8-2)19-10-9-12(18-19)11-17-14-15(3,4)16(14,5)6/h9-10,13-14,17H,7-8,11H2,1-6H3
InChIKeyDIRVTIZXWITHDG-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.77
Rot. Bonds6

About 2,2,3,3-tetramethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopropan-1-amine

2,2,3,3-tetramethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopropan-1-amine (PubChem CID 79359126) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopropan-1-amine
PubChem CID79359126
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2,2,3,3-tetramethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopropan-1-amine
SMILESCCC(CC)n1ccc(CNC2C(C)(C)C2(C)C)n1
InChIInChI=1S/C16H29N3/c1-7-13(8-2)19-10-9-12(18-19)11-17-14-15(3,4)16(14,5)6/h9-10,13-14,17H,7-8,11H2,1-6H3
InChIKeyDIRVTIZXWITHDG-UHFFFAOYSA-N
XLogP3.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 114545880
3-(bromomethyl)-1-pentan-3-ylpyrazole
CID 81222884
N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104991781
1,1-dioxo-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]thian-4-amine
CID 64801230
1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine
CID 64800483
2,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 64799094
3-ethyl-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 64921580
3-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64801245
1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol
CID 64801613
2-(chloromethyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 106365166
4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one
CID 106189038
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358924

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 2,2,3,3-tetramethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopropan-1-amine (CID 79359126) is 2,2,3,3-tetramethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 2,2,3,3-tetramethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopropan-1-amine is CCC(CC)n1ccc(CNC2C(C)(C)C2(C)C)n1.
What is the InChIKey of 2,2,3,3-tetramethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopropan-1-amine?
The InChIKey is DIRVTIZXWITHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-7-13(8-2)19-10-9-12(18-19)11-17-14-15(3,4)16(14,5)6/h9-10,13-14,17H,7-8,11H2,1-6H3.
What are the key properties of 2,2,3,3-tetramethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopropan-1-amine?
2,2,3,3-tetramethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopropan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 79359126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).