N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine

C11H22N6 — CID 55162465

IUPACN-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(c2nnnn2C)C1
InChIInChI=1S/C11H22N6/c1-9(2)12-7-10-5-4-6-17(8-10)11-13-14-15-16(11)3/h9-10,12H,4-8H2,1-3H3
InChIKeyIQELFXFHEUUNKS-UHFFFAOYSA-N
MW238.34 g/mol
LogP0.42
Rot. Bonds4

About N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine

N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine (PubChem CID 55162465) has the molecular formula C11H22N6 and a molecular weight of 238.34 g/mol. Its IUPAC name is N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine
PubChem CID55162465
Molecular FormulaC11H22N6
Molecular Weight238.34 g/mol
Exact Mass238.19
IUPAC NameN-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(c2nnnn2C)C1
InChIInChI=1S/C11H22N6/c1-9(2)12-7-10-5-4-6-17(8-10)11-13-14-15-16(11)3/h9-10,12H,4-8H2,1-3H3
InChIKeyIQELFXFHEUUNKS-UHFFFAOYSA-N
XLogP0.42
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine (CID 55162465) is N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCCN(c2nnnn2C)C1.
What is the InChIKey of N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is IQELFXFHEUUNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6/c1-9(2)12-7-10-5-4-6-17(8-10)11-13-14-15-16(11)3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine?
N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 238.34 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methyltetrazol-5-yl)piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 55162465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).