N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline

C12H17N5 — CID 43702180

IUPACN-(3-methylbutyl)-2-(tetrazol-1-yl)aniline
SMILESCC(C)CCNc1ccccc1-n1cnnn1
InChIInChI=1S/C12H17N5/c1-10(2)7-8-13-11-5-3-4-6-12(11)17-9-14-15-16-17/h3-6,9-10,13H,7-8H2,1-2H3
InChIKeyLGXQDENDDXYDMK-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.12
Rot. Bonds5

About N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline

N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline (PubChem CID 43702180) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(tetrazol-1-yl)aniline
PubChem CID43702180
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-(3-methylbutyl)-2-(tetrazol-1-yl)aniline
SMILESCC(C)CCNc1ccccc1-n1cnnn1
InChIInChI=1S/C12H17N5/c1-10(2)7-8-13-11-5-3-4-6-12(11)17-9-14-15-16-17/h3-6,9-10,13H,7-8H2,1-2H3
InChIKeyLGXQDENDDXYDMK-UHFFFAOYSA-N
XLogP2.12
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylsulfanylpropyl)-2-(tetrazol-1-yl)aniline
CID 43702070
N-(1,1-difluoropropan-2-yl)-2-(tetrazol-1-yl)aniline
CID 102868555
N-[1-(4-chlorophenyl)ethyl]-2-(tetrazol-1-yl)aniline
CID 43702187
(2S)-2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 61180779
2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 43706192
N-[(1-methyltriazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 62755418
N-[2-(tetrazol-1-yl)phenyl]ethanesulfonamide
CID 61061859
5-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 82011021
(2R)-2-amino-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 54995832
2-chloro-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 43698693
N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 78789374
3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 55110809

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline?
The IUPAC name of N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline (CID 43702180) is N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline?
The canonical SMILES for N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline is CC(C)CCNc1ccccc1-n1cnnn1.
What is the InChIKey of N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline?
The InChIKey is LGXQDENDDXYDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-10(2)7-8-13-11-5-3-4-6-12(11)17-9-14-15-16-17/h3-6,9-10,13H,7-8H2,1-2H3.
What are the key properties of N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline?
N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline has a molecular weight of 231.30 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43702180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).