N-tert-butyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-1-amine

C13H25N3 — CID 82870521

IUPACN-tert-butyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-1-amine
SMILESCC(CCc1ccn(C)n1)CNC(C)(C)C
InChIInChI=1S/C13H25N3/c1-11(10-14-13(2,3)4)6-7-12-8-9-16(5)15-12/h8-9,11,14H,6-7,10H2,1-5H3
InChIKeyZEBXYCBDMISRRH-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.38
Rot. Bonds5

About N-tert-butyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-1-amine

N-tert-butyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-1-amine (PubChem CID 82870521) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-1-amine
PubChem CID82870521
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-tert-butyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-1-amine
SMILESCC(CCc1ccn(C)n1)CNC(C)(C)C
InChIInChI=1S/C13H25N3/c1-11(10-14-13(2,3)4)6-7-12-8-9-16(5)15-12/h8-9,11,14H,6-7,10H2,1-5H3
InChIKeyZEBXYCBDMISRRH-UHFFFAOYSA-N
XLogP2.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-(1-cyclopentylpyrazol-3-yl)-2-methylbutan-1-amine
CID 64777209
N-tert-butyl-4-(1-cyclohexylpyrazol-3-yl)-2-methylbutan-1-amine
CID 64777399
3-(4-chloro-3-methylbutyl)-1-methylpyrazole
CID 82870525
2-methyl-N-[3-(1-methylpyrazol-3-yl)propyl]propan-2-amine
CID 82878363
N-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine
CID 82870831
4-(1-methylpyrazol-3-yl)butan-2-ol
CID 82875953
2-methyl-4-(1-methylpyrazol-3-yl)butanal
CID 82870516
2-methyl-N-[2-(2-methylphenyl)-3-(1-methylpyrazol-3-yl)propyl]propan-2-amine
CID 82870120
3-(3-chloro-5-methylhexyl)-1-methylpyrazole
CID 82876738
3-(3-bromopentyl)-1-methylpyrazole
CID 82877302
4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-3-amine
CID 82870384
1-(1-methylpyrazol-3-yl)hexan-3-amine
CID 82869047

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-1-amine (CID 82870521) is N-tert-butyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-1-amine is CC(CCc1ccn(C)n1)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-1-amine?
The InChIKey is ZEBXYCBDMISRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-11(10-14-13(2,3)4)6-7-12-8-9-16(5)15-12/h8-9,11,14H,6-7,10H2,1-5H3.
What are the key properties of N-tert-butyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-1-amine?
N-tert-butyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 82870521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).