N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline

C11H15N5 — CID 28621711

IUPACN-(2-methylpropyl)-4-(tetrazol-1-yl)aniline
SMILESCC(C)CNc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C11H15N5/c1-9(2)7-12-10-3-5-11(6-4-10)16-8-13-14-15-16/h3-6,8-9,12H,7H2,1-2H3
InChIKeyPTNJXOWXJKOILB-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.73
Rot. Bonds4

About N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline

N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline (PubChem CID 28621711) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(tetrazol-1-yl)aniline
PubChem CID28621711
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-(2-methylpropyl)-4-(tetrazol-1-yl)aniline
SMILESCC(C)CNc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C11H15N5/c1-9(2)7-12-10-3-5-11(6-4-10)16-8-13-14-15-16/h3-6,8-9,12H,7H2,1-2H3
InChIKeyPTNJXOWXJKOILB-UHFFFAOYSA-N
XLogP1.73
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-methylpropyl)phenyl]tetrazole
CID 153454015
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 28781201
4-[[4-(tetrazol-1-yl)anilino]methyl]phenol
CID 28621639
2-methyl-2-[[4-(tetrazol-1-yl)anilino]methyl]butan-1-ol
CID 81411606
N-[(5-ethylfuran-2-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62346303
2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide
CID 42582450
3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 61260719
N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62741215
N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 55114541
N-[(2-ethylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 115762701
4,4-dimethyl-5-[4-(tetrazol-1-yl)anilino]pentanenitrile
CID 115743436
3-methyl-5-oxo-5-[4-(tetrazol-1-yl)anilino]pentanoic acid
CID 62964862

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline?
The IUPAC name of N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline (CID 28621711) is N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline?
The canonical SMILES for N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline is CC(C)CNc1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline?
The InChIKey is PTNJXOWXJKOILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-9(2)7-12-10-3-5-11(6-4-10)16-8-13-14-15-16/h3-6,8-9,12H,7H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline?
N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline has a molecular weight of 217.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline is sourced from PubChem (CID 28621711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).