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

C13H25N3 — CID 103699639

IUPAC2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
SMILESCCC(C)(C)CNCc1ccn(C(C)C)n1
InChIInChI=1S/C13H25N3/c1-6-13(4,5)10-14-9-12-7-8-16(15-12)11(2)3/h7-8,11,14H,6,9-10H2,1-5H3
InChIKeyFOWXUIJQUHMASQ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.99
Rot. Bonds6

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

2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine (PubChem CID 103699639) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
PubChem CID103699639
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
SMILESCCC(C)(C)CNCc1ccn(C(C)C)n1
InChIInChI=1S/C13H25N3/c1-6-13(4,5)10-14-9-12-7-8-16(15-12)11(2)3/h7-8,11,14H,6,9-10H2,1-5H3
InChIKeyFOWXUIJQUHMASQ-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,2,2-tetramethyl-N'-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 64771973
2,2-difluoro-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]propan-1-ol
CID 106176024
4-chloro-2,2-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 114148926
3,3-dimethyl-4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]butan-1-ol
CID 106146536
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103461395
3-iodo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine
CID 114503659
[3,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-yl]hydrazine
CID 105312810
N-(2-methoxyethyl)-2,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64772125
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
CID 115455618
2-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 64771433
3-chloro-2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82872132
N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64771079

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine (CID 103699639) is 2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine is CCC(C)(C)CNCc1ccn(C(C)C)n1.
What is the InChIKey of 2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine?
The InChIKey is FOWXUIJQUHMASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-13(4,5)10-14-9-12-7-8-16(15-12)11(2)3/h7-8,11,14H,6,9-10H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine?
2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 103699639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).