3-[5-(4-methylmorpholin-2-yl)tetrazol-1-yl]propan-1-amine

C9H18N6O — CID 79088608

IUPAC3-[5-(4-methylmorpholin-2-yl)tetrazol-1-yl]propan-1-amine
SMILESCN1CCOC(c2nnnn2CCCN)C1
InChIInChI=1S/C9H18N6O/c1-14-5-6-16-8(7-14)9-11-12-13-15(9)4-2-3-10/h8H,2-7,10H2,1H3
InChIKeyZBEISFCLRBOMRR-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.98
Rot. Bonds4

About 3-[5-(4-methylmorpholin-2-yl)tetrazol-1-yl]propan-1-amine

3-[5-(4-methylmorpholin-2-yl)tetrazol-1-yl]propan-1-amine (PubChem CID 79088608) has the molecular formula C9H18N6O and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[5-(4-methylmorpholin-2-yl)tetrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(4-methylmorpholin-2-yl)tetrazol-1-yl]propan-1-amine
PubChem CID79088608
Molecular FormulaC9H18N6O
Molecular Weight226.28 g/mol
Exact Mass226.15
IUPAC Name3-[5-(4-methylmorpholin-2-yl)tetrazol-1-yl]propan-1-amine
SMILESCN1CCOC(c2nnnn2CCCN)C1
InChIInChI=1S/C9H18N6O/c1-14-5-6-16-8(7-14)9-11-12-13-15(9)4-2-3-10/h8H,2-7,10H2,1H3
InChIKeyZBEISFCLRBOMRR-UHFFFAOYSA-N
XLogP-0.98
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylmorpholin-2-yl)tetrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[5-(4-methylmorpholin-2-yl)tetrazol-1-yl]propan-1-amine (CID 79088608) is 3-[5-(4-methylmorpholin-2-yl)tetrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(4-methylmorpholin-2-yl)tetrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[5-(4-methylmorpholin-2-yl)tetrazol-1-yl]propan-1-amine is CN1CCOC(c2nnnn2CCCN)C1.
What is the InChIKey of 3-[5-(4-methylmorpholin-2-yl)tetrazol-1-yl]propan-1-amine?
The InChIKey is ZBEISFCLRBOMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O/c1-14-5-6-16-8(7-14)9-11-12-13-15(9)4-2-3-10/h8H,2-7,10H2,1H3.
What are the key properties of 3-[5-(4-methylmorpholin-2-yl)tetrazol-1-yl]propan-1-amine?
3-[5-(4-methylmorpholin-2-yl)tetrazol-1-yl]propan-1-amine has a molecular weight of 226.28 g/mol, XLogP of -0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methylmorpholin-2-yl)tetrazol-1-yl]propan-1-amine is sourced from PubChem (CID 79088608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).