N,N-dimethyl-2-(tetrazol-1-yl)ethanamine

C5H11N5 — CID 13145995

IUPACN,N-dimethyl-2-(tetrazol-1-yl)ethanamine
SMILESCN(C)CCn1cnnn1
InChIInChI=1S/C5H11N5/c1-9(2)3-4-10-5-6-7-8-10/h5H,3-4H2,1-2H3
InChIKeyJGSYWZJNFXZTKV-UHFFFAOYSA-N
MW141.18 g/mol
LogP-0.77
Rot. Bonds3

About N,N-dimethyl-2-(tetrazol-1-yl)ethanamine

N,N-dimethyl-2-(tetrazol-1-yl)ethanamine (PubChem CID 13145995) has the molecular formula C5H11N5 and a molecular weight of 141.18 g/mol. Its IUPAC name is N,N-dimethyl-2-(tetrazol-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(tetrazol-1-yl)ethanamine
PubChem CID13145995
Molecular FormulaC5H11N5
Molecular Weight141.18 g/mol
Exact Mass141.10
IUPAC NameN,N-dimethyl-2-(tetrazol-1-yl)ethanamine
SMILESCN(C)CCn1cnnn1
InChIInChI=1S/C5H11N5/c1-9(2)3-4-10-5-6-7-8-10/h5H,3-4H2,1-2H3
InChIKeyJGSYWZJNFXZTKV-UHFFFAOYSA-N
XLogP-0.77
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.18
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(tetrazol-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(tetrazol-1-yl)ethanamine (CID 13145995) is N,N-dimethyl-2-(tetrazol-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(tetrazol-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(tetrazol-1-yl)ethanamine is CN(C)CCn1cnnn1.
What is the InChIKey of N,N-dimethyl-2-(tetrazol-1-yl)ethanamine?
The InChIKey is JGSYWZJNFXZTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5/c1-9(2)3-4-10-5-6-7-8-10/h5H,3-4H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(tetrazol-1-yl)ethanamine?
N,N-dimethyl-2-(tetrazol-1-yl)ethanamine has a molecular weight of 141.18 g/mol, XLogP of -0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(tetrazol-1-yl)ethanamine is sourced from PubChem (CID 13145995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).