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

C11H21N5O — CID 62736119

IUPAC2-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nnnn1CC1CCCO1
InChIInChI=1S/C11H21N5O/c1-9(2)6-12-7-11-13-14-15-16(11)8-10-4-3-5-17-10/h9-10,12H,3-8H2,1-2H3
InChIKeyMZJCSPOXJRTCBC-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.60
Rot. Bonds6

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

2-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine (PubChem CID 62736119) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine
PubChem CID62736119
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nnnn1CC1CCCO1
InChIInChI=1S/C11H21N5O/c1-9(2)6-12-7-11-13-14-15-16(11)8-10-4-3-5-17-10/h9-10,12H,3-8H2,1-2H3
InChIKeyMZJCSPOXJRTCBC-UHFFFAOYSA-N
XLogP0.60
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine (CID 62736119) is 2-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine is CC(C)CNCc1nnnn1CC1CCCO1.
What is the InChIKey of 2-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine?
The InChIKey is MZJCSPOXJRTCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-9(2)6-12-7-11-13-14-15-16(11)8-10-4-3-5-17-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 2-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine has a molecular weight of 239.32 g/mol, XLogP of 0.60, 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-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 62736119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).