N,N-dimethyl-2-(2-propan-2-yltetrazol-5-yl)ethanamine

C8H17N5 — CID 15633665

IUPACN,N-dimethyl-2-(2-propan-2-yltetrazol-5-yl)ethanamine
SMILESCC(C)n1nnc(CCN(C)C)n1
InChIInChI=1S/C8H17N5/c1-7(2)13-10-8(9-11-13)5-6-12(3)4/h7H,5-6H2,1-4H3
InChIKeyWKPVHEAWYHRVSS-UHFFFAOYSA-N
MW183.26 g/mol
LogP0.36
Rot. Bonds4

About N,N-dimethyl-2-(2-propan-2-yltetrazol-5-yl)ethanamine

N,N-dimethyl-2-(2-propan-2-yltetrazol-5-yl)ethanamine (PubChem CID 15633665) has the molecular formula C8H17N5 and a molecular weight of 183.26 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-propan-2-yltetrazol-5-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-propan-2-yltetrazol-5-yl)ethanamine
PubChem CID15633665
Molecular FormulaC8H17N5
Molecular Weight183.26 g/mol
Exact Mass183.15
IUPAC NameN,N-dimethyl-2-(2-propan-2-yltetrazol-5-yl)ethanamine
SMILESCC(C)n1nnc(CCN(C)C)n1
InChIInChI=1S/C8H17N5/c1-7(2)13-10-8(9-11-13)5-6-12(3)4/h7H,5-6H2,1-4H3
InChIKeyWKPVHEAWYHRVSS-UHFFFAOYSA-N
XLogP0.36
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 50.36
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-(2-propan-2-yltetrazol-5-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(2-propan-2-yltetrazol-5-yl)ethanamine (CID 15633665) is N,N-dimethyl-2-(2-propan-2-yltetrazol-5-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(2-propan-2-yltetrazol-5-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(2-propan-2-yltetrazol-5-yl)ethanamine is CC(C)n1nnc(CCN(C)C)n1.
What is the InChIKey of N,N-dimethyl-2-(2-propan-2-yltetrazol-5-yl)ethanamine?
The InChIKey is WKPVHEAWYHRVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5/c1-7(2)13-10-8(9-11-13)5-6-12(3)4/h7H,5-6H2,1-4H3.
What are the key properties of N,N-dimethyl-2-(2-propan-2-yltetrazol-5-yl)ethanamine?
N,N-dimethyl-2-(2-propan-2-yltetrazol-5-yl)ethanamine has a molecular weight of 183.26 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-propan-2-yltetrazol-5-yl)ethanamine is sourced from PubChem (CID 15633665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).