2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-1-amine

C12H23N5O — CID 55109201

IUPAC2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nnnn1C(C)C1CCCO1
InChIInChI=1S/C12H23N5O/c1-9(2)7-13-8-12-14-15-16-17(12)10(3)11-5-4-6-18-11/h9-11,13H,4-8H2,1-3H3
InChIKeyAXFWKRIWLALTLV-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.16
Rot. Bonds6

About 2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-1-amine

2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-1-amine (PubChem CID 55109201) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-1-amine
PubChem CID55109201
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nnnn1C(C)C1CCCO1
InChIInChI=1S/C12H23N5O/c1-9(2)7-13-8-12-14-15-16-17(12)10(3)11-5-4-6-18-11/h9-11,13H,4-8H2,1-3H3
InChIKeyAXFWKRIWLALTLV-UHFFFAOYSA-N
XLogP1.16
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.16
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-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-1-amine (CID 55109201) is 2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-1-amine is CC(C)CNCc1nnnn1C(C)C1CCCO1.
What is the InChIKey of 2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-1-amine?
The InChIKey is AXFWKRIWLALTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-9(2)7-13-8-12-14-15-16-17(12)10(3)11-5-4-6-18-11/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-1-amine?
2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 1.16, 6 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-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 55109201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).