N-(2-methylbutyl)-3-(5-methyltetrazol-1-yl)aniline

C13H19N5 — CID 43733948

IUPACN-(2-methylbutyl)-3-(5-methyltetrazol-1-yl)aniline
SMILESCCC(C)CNc1cccc(-n2nnnc2C)c1
InChIInChI=1S/C13H19N5/c1-4-10(2)9-14-12-6-5-7-13(8-12)18-11(3)15-16-17-18/h5-8,10,14H,4,9H2,1-3H3
InChIKeyAGMWBURDAKASCB-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.43
Rot. Bonds5

About N-(2-methylbutyl)-3-(5-methyltetrazol-1-yl)aniline

N-(2-methylbutyl)-3-(5-methyltetrazol-1-yl)aniline (PubChem CID 43733948) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(2-methylbutyl)-3-(5-methyltetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-(2-methylbutyl)-3-(5-methyltetrazol-1-yl)aniline
PubChem CID43733948
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-(2-methylbutyl)-3-(5-methyltetrazol-1-yl)aniline
SMILESCCC(C)CNc1cccc(-n2nnnc2C)c1
InChIInChI=1S/C13H19N5/c1-4-10(2)9-14-12-6-5-7-13(8-12)18-11(3)15-16-17-18/h5-8,10,14H,4,9H2,1-3H3
InChIKeyAGMWBURDAKASCB-UHFFFAOYSA-N
XLogP2.43
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline
CID 63951883
N-[1-(furan-2-yl)propyl]-3-(5-methyltetrazol-1-yl)aniline
CID 62633991
3-(5-methyltetrazol-1-yl)-N-(pyrimidin-5-ylmethyl)aniline
CID 62758600
N-[(1-methylpyrrol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 66398115
2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 43713354
N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 115762802
N-[(3-methylfuran-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 115744001
4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 81075886
N-[(1-methylimidazol-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 62350456
N-[(4-bromothiophen-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 43734028
[3-(5-methyltetrazol-1-yl)phenyl]thiourea
CID 169356763
N-[1-(furan-2-yl)ethyl]-3-(5-methyltetrazol-1-yl)aniline
CID 43734008

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-3-(5-methyltetrazol-1-yl)aniline?
The IUPAC name of N-(2-methylbutyl)-3-(5-methyltetrazol-1-yl)aniline (CID 43733948) is N-(2-methylbutyl)-3-(5-methyltetrazol-1-yl)aniline.
What is the SMILES notation for N-(2-methylbutyl)-3-(5-methyltetrazol-1-yl)aniline?
The canonical SMILES for N-(2-methylbutyl)-3-(5-methyltetrazol-1-yl)aniline is CCC(C)CNc1cccc(-n2nnnc2C)c1.
What is the InChIKey of N-(2-methylbutyl)-3-(5-methyltetrazol-1-yl)aniline?
The InChIKey is AGMWBURDAKASCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-10(2)9-14-12-6-5-7-13(8-12)18-11(3)15-16-17-18/h5-8,10,14H,4,9H2,1-3H3.
What are the key properties of N-(2-methylbutyl)-3-(5-methyltetrazol-1-yl)aniline?
N-(2-methylbutyl)-3-(5-methyltetrazol-1-yl)aniline has a molecular weight of 245.33 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-3-(5-methyltetrazol-1-yl)aniline is sourced from PubChem (CID 43733948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).