N-[2-fluoro-3-(2-methyltetrazol-5-yl)propyl]-2-methylpropan-2-amine

C9H18FN5 — CID 107446852

IUPACN-[2-fluoro-3-(2-methyltetrazol-5-yl)propyl]-2-methylpropan-2-amine
SMILESCn1nnc(CC(F)CNC(C)(C)C)n1
InChIInChI=1S/C9H18FN5/c1-9(2,3)11-6-7(10)5-8-12-14-15(4)13-8/h7,11H,5-6H2,1-4H3
InChIKeyCHLSBJPALLYVDX-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.48
Rot. Bonds4

About N-[2-fluoro-3-(2-methyltetrazol-5-yl)propyl]-2-methylpropan-2-amine

N-[2-fluoro-3-(2-methyltetrazol-5-yl)propyl]-2-methylpropan-2-amine (PubChem CID 107446852) has the molecular formula C9H18FN5 and a molecular weight of 215.28 g/mol. Its IUPAC name is N-[2-fluoro-3-(2-methyltetrazol-5-yl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-fluoro-3-(2-methyltetrazol-5-yl)propyl]-2-methylpropan-2-amine
PubChem CID107446852
Molecular FormulaC9H18FN5
Molecular Weight215.28 g/mol
Exact Mass215.15
IUPAC NameN-[2-fluoro-3-(2-methyltetrazol-5-yl)propyl]-2-methylpropan-2-amine
SMILESCn1nnc(CC(F)CNC(C)(C)C)n1
InChIInChI=1S/C9H18FN5/c1-9(2,3)11-6-7(10)5-8-12-14-15(4)13-8/h7,11H,5-6H2,1-4H3
InChIKeyCHLSBJPALLYVDX-UHFFFAOYSA-N
XLogP0.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)butan-2-amine
CID 107048754
N-ethyl-5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine
CID 107050239
5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)-N-propylpentan-2-amine
CID 107050240
2-methyl-3-(2-methyltetrazol-5-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 107053612
1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine
CID 107064717
1,1-difluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107064822
N-ethyl-1,1,1-trifluoro-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107064955
N-ethyl-1,1-difluoro-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107065155
1,1-difluoro-3-(2-methyltetrazol-5-yl)-N-propylpropan-2-amine
CID 107065311
1,1,1-trifluoro-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107065514
4,4,4-trifluoro-1-(2-methyltetrazol-5-yl)-N-propylbutan-2-amine
CID 113910036
3-(2-tert-butyl-2H-1,2,3,4-tetrazol-5-yl)-3-fluoropropan-1-amine
CID 165639130

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-(2-methyltetrazol-5-yl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-fluoro-3-(2-methyltetrazol-5-yl)propyl]-2-methylpropan-2-amine (CID 107446852) is N-[2-fluoro-3-(2-methyltetrazol-5-yl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-fluoro-3-(2-methyltetrazol-5-yl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-fluoro-3-(2-methyltetrazol-5-yl)propyl]-2-methylpropan-2-amine is Cn1nnc(CC(F)CNC(C)(C)C)n1.
What is the InChIKey of N-[2-fluoro-3-(2-methyltetrazol-5-yl)propyl]-2-methylpropan-2-amine?
The InChIKey is CHLSBJPALLYVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN5/c1-9(2,3)11-6-7(10)5-8-12-14-15(4)13-8/h7,11H,5-6H2,1-4H3.
What are the key properties of N-[2-fluoro-3-(2-methyltetrazol-5-yl)propyl]-2-methylpropan-2-amine?
N-[2-fluoro-3-(2-methyltetrazol-5-yl)propyl]-2-methylpropan-2-amine has a molecular weight of 215.28 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-(2-methyltetrazol-5-yl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107446852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).