3,3-dimethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylbutan-1-amine

C14H27N3 — CID 83138737

IUPAC3,3-dimethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(Cc1ccn(C)n1)C(C)(C)C
InChIInChI=1S/C14H27N3/c1-11(2)15-10-12(14(3,4)5)9-13-7-8-17(6)16-13/h7-8,11-12,15H,9-10H2,1-6H3
InChIKeyACFGVUYSUKRIKD-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.62
Rot. Bonds5

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

3,3-dimethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylbutan-1-amine (PubChem CID 83138737) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3,3-dimethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylbutan-1-amine
PubChem CID83138737
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3,3-dimethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(Cc1ccn(C)n1)C(C)(C)C
InChIInChI=1S/C14H27N3/c1-11(2)15-10-12(14(3,4)5)9-13-7-8-17(6)16-13/h7-8,11-12,15H,9-10H2,1-6H3
InChIKeyACFGVUYSUKRIKD-UHFFFAOYSA-N
XLogP2.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(bromomethyl)-3,3-dimethylbutyl]-1-methylpyrazole
CID 83142428
4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 82872101
2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 82870709
N,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-amine
CID 82877634
N-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82882880
2-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 113455860
2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine
CID 82870491
3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine
CID 78920945
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine
CID 83139112
N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-2-amine
CID 82876652
4-methyl-3-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine
CID 82868697
3-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 82878052

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3,3-dimethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylbutan-1-amine (CID 83138737) is 3,3-dimethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3,3-dimethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3,3-dimethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylbutan-1-amine is CC(C)NCC(Cc1ccn(C)n1)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylbutan-1-amine?
The InChIKey is ACFGVUYSUKRIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-11(2)15-10-12(14(3,4)5)9-13-7-8-17(6)16-13/h7-8,11-12,15H,9-10H2,1-6H3.
What are the key properties of 3,3-dimethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylbutan-1-amine?
3,3-dimethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylbutan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 83138737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).