5-[2,2-bis(bromomethyl)-4-methylpentyl]-2-methyltetrazole

C10H18Br2N4 — CID 107058528

IUPAC5-[2,2-bis(bromomethyl)-4-methylpentyl]-2-methyltetrazole
SMILESCC(C)CC(CBr)(CBr)Cc1nnn(C)n1
InChIInChI=1S/C10H18Br2N4/c1-8(2)4-10(6-11,7-12)5-9-13-15-16(3)14-9/h8H,4-7H2,1-3H3
InChIKeyXLDRBPKLMATEBX-UHFFFAOYSA-N
MW354.09 g/mol
LogP2.57
Rot. Bonds6

About 5-[2,2-bis(bromomethyl)-4-methylpentyl]-2-methyltetrazole

5-[2,2-bis(bromomethyl)-4-methylpentyl]-2-methyltetrazole (PubChem CID 107058528) has the molecular formula C10H18Br2N4 and a molecular weight of 354.09 g/mol. Its IUPAC name is 5-[2,2-bis(bromomethyl)-4-methylpentyl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[2,2-bis(bromomethyl)-4-methylpentyl]-2-methyltetrazole
PubChem CID107058528
Molecular FormulaC10H18Br2N4
Molecular Weight354.09 g/mol
Exact Mass351.99
IUPAC Name5-[2,2-bis(bromomethyl)-4-methylpentyl]-2-methyltetrazole
SMILESCC(C)CC(CBr)(CBr)Cc1nnn(C)n1
InChIInChI=1S/C10H18Br2N4/c1-8(2)4-10(6-11,7-12)5-9-13-15-16(3)14-9/h8H,4-7H2,1-3H3
InChIKeyXLDRBPKLMATEBX-UHFFFAOYSA-N
XLogP2.57
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.09
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-1-(2-methyltetrazol-5-yl)butan-2-amine
CID 107046659
2-[(2-methyltetrazol-5-yl)methyl]-2-propylpropane-1,3-diol
CID 107058378
5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2-methyltetrazole
CID 107058457
5-(4-bromobutyl)-2-methyltetrazole
CID 107055081
2,2-dimethyl-3-(2-methyltetrazol-5-yl)propanoic acid
CID 107045107
2-(aminomethyl)-3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butanoic acid
CID 107067051
2-methyl-1-(2-methyltetrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol
CID 107057645
4-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
CID 107046551
4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107046864
2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042638
5-butyl-2-methyltetrazole;ethane
CID 144800630
5-(3-chloro-2-methylbutyl)-2-methyltetrazole
CID 107052382

Frequently Asked Questions

What is the IUPAC name of 5-[2,2-bis(bromomethyl)-4-methylpentyl]-2-methyltetrazole?
The IUPAC name of 5-[2,2-bis(bromomethyl)-4-methylpentyl]-2-methyltetrazole (CID 107058528) is 5-[2,2-bis(bromomethyl)-4-methylpentyl]-2-methyltetrazole.
What is the SMILES notation for 5-[2,2-bis(bromomethyl)-4-methylpentyl]-2-methyltetrazole?
The canonical SMILES for 5-[2,2-bis(bromomethyl)-4-methylpentyl]-2-methyltetrazole is CC(C)CC(CBr)(CBr)Cc1nnn(C)n1.
What is the InChIKey of 5-[2,2-bis(bromomethyl)-4-methylpentyl]-2-methyltetrazole?
The InChIKey is XLDRBPKLMATEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Br2N4/c1-8(2)4-10(6-11,7-12)5-9-13-15-16(3)14-9/h8H,4-7H2,1-3H3.
What are the key properties of 5-[2,2-bis(bromomethyl)-4-methylpentyl]-2-methyltetrazole?
5-[2,2-bis(bromomethyl)-4-methylpentyl]-2-methyltetrazole has a molecular weight of 354.09 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-bis(bromomethyl)-4-methylpentyl]-2-methyltetrazole is sourced from PubChem (CID 107058528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).