3-methyl-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline

C16H25N5 — CID 102907804

IUPAC3-methyl-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline
SMILESCc1cccc(N)c1-c1nnnn1CC(C(C)C)C(C)C
InChIInChI=1S/C16H25N5/c1-10(2)13(11(3)4)9-21-16(18-19-20-21)15-12(5)7-6-8-14(15)17/h6-8,10-11,13H,9,17H2,1-5H3
InChIKeyCSCZZFDZZHZRNJ-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.16
Rot. Bonds5

About 3-methyl-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline

3-methyl-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline (PubChem CID 102907804) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-methyl-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3-methyl-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline
PubChem CID102907804
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name3-methyl-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline
SMILESCc1cccc(N)c1-c1nnnn1CC(C(C)C)C(C)C
InChIInChI=1S/C16H25N5/c1-10(2)13(11(3)4)9-21-16(18-19-20-21)15-12(5)7-6-8-14(15)17/h6-8,10-11,13H,9,17H2,1-5H3
InChIKeyCSCZZFDZZHZRNJ-UHFFFAOYSA-N
XLogP3.16
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2,2-dimethylpropyl)tetrazol-5-yl]-3-methylaniline
CID 61377038
2-[1-(cyclopropylmethyl)tetrazol-5-yl]-3-methylaniline
CID 61351467
3-methyl-2-[1-(4-propan-2-yloxybutyl)tetrazol-5-yl]aniline
CID 106010851
2-[1-(2,3-dimethylbutyl)tetrazol-5-yl]-3-ethoxyaniline
CID 81397181
2-[1-(2-ethoxyethyl)tetrazol-5-yl]-3-methylaniline
CID 61353827
4-fluoro-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline
CID 102907806
4-chloro-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline
CID 102907782
2-[1-(2,3-dimethylbutyl)tetrazol-5-yl]-6-methylaniline
CID 64599453
3-methyl-2-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]aniline
CID 115521943
2-(1-hexan-2-yltetrazol-5-yl)-3-methylaniline
CID 55049972
2-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-3-methylaniline
CID 65499080
2-[1-(4-methoxybutan-2-yl)tetrazol-5-yl]-3-methylaniline
CID 64604925

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline?
The IUPAC name of 3-methyl-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline (CID 102907804) is 3-methyl-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 3-methyl-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline?
The canonical SMILES for 3-methyl-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline is Cc1cccc(N)c1-c1nnnn1CC(C(C)C)C(C)C.
What is the InChIKey of 3-methyl-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline?
The InChIKey is CSCZZFDZZHZRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-10(2)13(11(3)4)9-21-16(18-19-20-21)15-12(5)7-6-8-14(15)17/h6-8,10-11,13H,9,17H2,1-5H3.
What are the key properties of 3-methyl-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline?
3-methyl-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline has a molecular weight of 287.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[1-(3-methyl-2-propan-2-ylbutyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 102907804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).