3-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]propan-1-amine

C10H22N6 — CID 61375594

IUPAC3-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]propan-1-amine
SMILESCCN(CC)CCc1nnnn1CCCN
InChIInChI=1S/C10H22N6/c1-3-15(4-2)9-6-10-12-13-14-16(10)8-5-7-11/h3-9,11H2,1-2H3
InChIKeyNBLKUNBODXDNJF-UHFFFAOYSA-N
MW226.33 g/mol
LogP-0.09
Rot. Bonds8

About 3-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]propan-1-amine

3-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]propan-1-amine (PubChem CID 61375594) has the molecular formula C10H22N6 and a molecular weight of 226.33 g/mol. Its IUPAC name is 3-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]propan-1-amine
PubChem CID61375594
Molecular FormulaC10H22N6
Molecular Weight226.33 g/mol
Exact Mass226.19
IUPAC Name3-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]propan-1-amine
SMILESCCN(CC)CCc1nnnn1CCCN
InChIInChI=1S/C10H22N6/c1-3-15(4-2)9-6-10-12-13-14-16(10)8-5-7-11/h3-9,11H2,1-2H3
InChIKeyNBLKUNBODXDNJF-UHFFFAOYSA-N
XLogP-0.09
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]propan-1-amine (CID 61375594) is 3-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]propan-1-amine is CCN(CC)CCc1nnnn1CCCN.
What is the InChIKey of 3-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]propan-1-amine?
The InChIKey is NBLKUNBODXDNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N6/c1-3-15(4-2)9-6-10-12-13-14-16(10)8-5-7-11/h3-9,11H2,1-2H3.
What are the key properties of 3-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]propan-1-amine?
3-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]propan-1-amine has a molecular weight of 226.33 g/mol, XLogP of -0.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(diethylamino)ethyl]tetrazol-1-yl]propan-1-amine is sourced from PubChem (CID 61375594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).