N,3,3-trimethyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine

C16H25N3 — CID 83139294

IUPACN,3,3-trimethyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine
SMILESCNCC(Cc1nn(C)c2ccccc12)C(C)(C)C
InChIInChI=1S/C16H25N3/c1-16(2,3)12(11-17-4)10-14-13-8-6-7-9-15(13)19(5)18-14/h6-9,12,17H,10-11H2,1-5H3
InChIKeyRKPRFOLMEGLMLL-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.00
Rot. Bonds4

About N,3,3-trimethyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine

N,3,3-trimethyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine (PubChem CID 83139294) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N,3,3-trimethyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine
PubChem CID83139294
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN,3,3-trimethyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine
SMILESCNCC(Cc1nn(C)c2ccccc12)C(C)(C)C
InChIInChI=1S/C16H25N3/c1-16(2,3)12(11-17-4)10-14-13-8-6-7-9-15(13)19(5)18-14/h6-9,12,17H,10-11H2,1-5H3
InChIKeyRKPRFOLMEGLMLL-UHFFFAOYSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methylindazol-3-yl)methanamine;hydrochloride
CID 131083250
3,3-dimethyl-2-[(1-methylindazol-3-yl)methyl]butanoic acid
CID 83137512
N,4-dimethyl-1-(1-methylindazol-3-yl)hexan-2-amine
CID 105001190
2-methyl-2-N-[(1-methylindazol-3-yl)methyl]propane-1,2-diamine
CID 112738161
3-ethoxy-4,4-dimethyl-1-(1-methylindazol-3-yl)pentan-2-ol
CID 116713352
3-methyl-N-[(1-methylindazol-3-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102905509
N-methyl-1-(1-methylindazol-3-yl)-3-methylsulfonylbutan-2-amine
CID 105001238
[1-(4-iodophenyl)-2-(1-methylindazol-3-yl)ethyl]hydrazine
CID 105318206
N-methyl-1-(1-methylimidazol-4-yl)-2-(1-methylindazol-3-yl)ethanamine
CID 107976079
[5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-yl]hydrazine
CID 105248982
5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-ol
CID 79954762
1-(2-chlorofuran-3-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine
CID 106692423

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine?
The IUPAC name of N,3,3-trimethyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine (CID 83139294) is N,3,3-trimethyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine.
What is the SMILES notation for N,3,3-trimethyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine?
The canonical SMILES for N,3,3-trimethyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine is CNCC(Cc1nn(C)c2ccccc12)C(C)(C)C.
What is the InChIKey of N,3,3-trimethyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine?
The InChIKey is RKPRFOLMEGLMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-16(2,3)12(11-17-4)10-14-13-8-6-7-9-15(13)19(5)18-14/h6-9,12,17H,10-11H2,1-5H3.
What are the key properties of N,3,3-trimethyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine?
N,3,3-trimethyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine has a molecular weight of 259.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 83139294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).