2-methyl-N-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]propan-1-amine

C12H24N6 — CID 63149713

IUPAC2-methyl-N-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCN(c2nnnn2C)CC1
InChIInChI=1S/C12H24N6/c1-10(2)8-13-9-11-4-6-18(7-5-11)12-14-15-16-17(12)3/h10-11,13H,4-9H2,1-3H3
InChIKeyDIGBFWFWLUEKLI-UHFFFAOYSA-N
MW252.37 g/mol
LogP0.67
Rot. Bonds5

About 2-methyl-N-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]propan-1-amine

2-methyl-N-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]propan-1-amine (PubChem CID 63149713) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is 2-methyl-N-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]propan-1-amine
PubChem CID63149713
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC Name2-methyl-N-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCN(c2nnnn2C)CC1
InChIInChI=1S/C12H24N6/c1-10(2)8-13-9-11-4-6-18(7-5-11)12-14-15-16-17(12)3/h10-11,13H,4-9H2,1-3H3
InChIKeyDIGBFWFWLUEKLI-UHFFFAOYSA-N
XLogP0.67
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 50.67
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-methyltetrazol-5-yl)piperidin-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]propan-1-amine (CID 63149713) is 2-methyl-N-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]propan-1-amine is CC(C)CNCC1CCN(c2nnnn2C)CC1.
What is the InChIKey of 2-methyl-N-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]propan-1-amine?
The InChIKey is DIGBFWFWLUEKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6/c1-10(2)8-13-9-11-4-6-18(7-5-11)12-14-15-16-17(12)3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(1-methyltetrazol-5-yl)piperidin-4-yl]methyl]propan-1-amine has a molecular weight of 252.37 g/mol, XLogP of 0.67, 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-methyltetrazol-5-yl)piperidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 63149713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).