4-bromo-2-methyl-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine

C8H16BrN5 — CID 107054210

IUPAC4-bromo-2-methyl-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine
SMILESCn1nnc(CNC(C)(C)CCBr)n1
InChIInChI=1S/C8H16BrN5/c1-8(2,4-5-9)10-6-7-11-13-14(3)12-7/h10H,4-6H2,1-3H3
InChIKeyQINVDSWNIZTUGT-UHFFFAOYSA-N
MW262.15 g/mol
LogP0.86
Rot. Bonds5

About 4-bromo-2-methyl-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine

4-bromo-2-methyl-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine (PubChem CID 107054210) has the molecular formula C8H16BrN5 and a molecular weight of 262.15 g/mol. Its IUPAC name is 4-bromo-2-methyl-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name4-bromo-2-methyl-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine
PubChem CID107054210
Molecular FormulaC8H16BrN5
Molecular Weight262.15 g/mol
Exact Mass261.06
IUPAC Name4-bromo-2-methyl-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine
SMILESCn1nnc(CNC(C)(C)CCBr)n1
InChIInChI=1S/C8H16BrN5/c1-8(2,4-5-9)10-6-7-11-13-14(3)12-7/h10H,4-6H2,1-3H3
InChIKeyQINVDSWNIZTUGT-UHFFFAOYSA-N
XLogP0.86
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-(2-methyltetrazol-5-yl)ethyl]propan-2-amine
CID 107049249
5-(4-bromobutyl)-2-methyltetrazole
CID 107055081
2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042638
tert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate
CID 45092164
2-bromo-N-[(2-methyltetrazol-5-yl)methyl]prop-2-en-1-amine
CID 107042685
4-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 69215565
N-[(2-methyltetrazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 130870036
5-butyl-2-methyltetrazole;ethane
CID 144800630
5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2-methyltetrazole
CID 107058457
N-[(2-methyltetrazol-5-yl)methyl]methanesulfonamide
CID 130618771
N-ethyl-3,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107053527
N-tert-butyl-N'-methyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine
CID 107043617

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine?
The IUPAC name of 4-bromo-2-methyl-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine (CID 107054210) is 4-bromo-2-methyl-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine.
What is the SMILES notation for 4-bromo-2-methyl-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine?
The canonical SMILES for 4-bromo-2-methyl-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine is Cn1nnc(CNC(C)(C)CCBr)n1.
What is the InChIKey of 4-bromo-2-methyl-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine?
The InChIKey is QINVDSWNIZTUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrN5/c1-8(2,4-5-9)10-6-7-11-13-14(3)12-7/h10H,4-6H2,1-3H3.
What are the key properties of 4-bromo-2-methyl-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine?
4-bromo-2-methyl-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine has a molecular weight of 262.15 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine is sourced from PubChem (CID 107054210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).