N,N-diethyl-2-(5-ethyltetrazol-2-yl)ethanamine

C9H19N5 — CID 59069126

IUPACN,N-diethyl-2-(5-ethyltetrazol-2-yl)ethanamine
SMILESCCc1nnn(CCN(CC)CC)n1
InChIInChI=1S/C9H19N5/c1-4-9-10-12-14(11-9)8-7-13(5-2)6-3/h4-8H2,1-3H3
InChIKeySZBKIXWUIYBABF-UHFFFAOYSA-N
MW197.29 g/mol
LogP0.58
Rot. Bonds6

About N,N-diethyl-2-(5-ethyltetrazol-2-yl)ethanamine

N,N-diethyl-2-(5-ethyltetrazol-2-yl)ethanamine (PubChem CID 59069126) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is N,N-diethyl-2-(5-ethyltetrazol-2-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(5-ethyltetrazol-2-yl)ethanamine
PubChem CID59069126
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC NameN,N-diethyl-2-(5-ethyltetrazol-2-yl)ethanamine
SMILESCCc1nnn(CCN(CC)CC)n1
InChIInChI=1S/C9H19N5/c1-4-9-10-12-14(11-9)8-7-13(5-2)6-3/h4-8H2,1-3H3
InChIKeySZBKIXWUIYBABF-UHFFFAOYSA-N
XLogP0.58
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(5-ethyltetrazol-2-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(5-ethyltetrazol-2-yl)ethanamine (CID 59069126) is N,N-diethyl-2-(5-ethyltetrazol-2-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(5-ethyltetrazol-2-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(5-ethyltetrazol-2-yl)ethanamine is CCc1nnn(CCN(CC)CC)n1.
What is the InChIKey of N,N-diethyl-2-(5-ethyltetrazol-2-yl)ethanamine?
The InChIKey is SZBKIXWUIYBABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-4-9-10-12-14(11-9)8-7-13(5-2)6-3/h4-8H2,1-3H3.
What are the key properties of N,N-diethyl-2-(5-ethyltetrazol-2-yl)ethanamine?
N,N-diethyl-2-(5-ethyltetrazol-2-yl)ethanamine has a molecular weight of 197.29 g/mol, XLogP of 0.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(5-ethyltetrazol-2-yl)ethanamine is sourced from PubChem (CID 59069126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).