2-methyl-N-[1-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine

C13H23N5O — CID 103086634

IUPAC2-methyl-N-[1-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCC(C)CNC(C)c1nnnn1C1CC2CCC1O2
InChIInChI=1S/C13H23N5O/c1-8(2)7-14-9(3)13-15-16-17-18(13)11-6-10-4-5-12(11)19-10/h8-12,14H,4-7H2,1-3H3
InChIKeyVIDHJHXSRVNDEI-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.47
Rot. Bonds5

About 2-methyl-N-[1-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine

2-methyl-N-[1-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine (PubChem CID 103086634) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-methyl-N-[1-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine
PubChem CID103086634
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-methyl-N-[1-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCC(C)CNC(C)c1nnnn1C1CC2CCC1O2
InChIInChI=1S/C13H23N5O/c1-8(2)7-14-9(3)13-15-16-17-18(13)11-6-10-4-5-12(11)19-10/h8-12,14H,4-7H2,1-3H3
InChIKeyVIDHJHXSRVNDEI-UHFFFAOYSA-N
XLogP1.47
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[1-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine (CID 103086634) is 2-methyl-N-[1-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[1-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[1-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine is CC(C)CNC(C)c1nnnn1C1CC2CCC1O2.
What is the InChIKey of 2-methyl-N-[1-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine?
The InChIKey is VIDHJHXSRVNDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-8(2)7-14-9(3)13-15-16-17-18(13)11-6-10-4-5-12(11)19-10/h8-12,14H,4-7H2,1-3H3.
What are the key properties of 2-methyl-N-[1-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine?
2-methyl-N-[1-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine has a molecular weight of 265.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[1-(7-oxabicyclo[2.2.1]heptan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103086634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).