N-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]propan-2-amine

C8H17N5O — CID 107044416

IUPACN-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCc1nnn(C)n1
InChIInChI=1S/C8H17N5O/c1-7(2)9-4-5-14-6-8-10-12-13(3)11-8/h7,9H,4-6H2,1-3H3
InChIKeyYIAZWASUZCBPDU-UHFFFAOYSA-N
MW199.26 g/mol
LogP-0.28
Rot. Bonds6

About N-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]propan-2-amine

N-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]propan-2-amine (PubChem CID 107044416) has the molecular formula C8H17N5O and a molecular weight of 199.26 g/mol. Its IUPAC name is N-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]propan-2-amine
PubChem CID107044416
Molecular FormulaC8H17N5O
Molecular Weight199.26 g/mol
Exact Mass199.14
IUPAC NameN-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCc1nnn(C)n1
InChIInChI=1S/C8H17N5O/c1-7(2)9-4-5-14-6-8-10-12-13(3)11-8/h7,9H,4-6H2,1-3H3
InChIKeyYIAZWASUZCBPDU-UHFFFAOYSA-N
XLogP-0.28
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]propan-2-amine (CID 107044416) is N-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]propan-2-amine is CC(C)NCCOCc1nnn(C)n1.
What is the InChIKey of N-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]propan-2-amine?
The InChIKey is YIAZWASUZCBPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O/c1-7(2)9-4-5-14-6-8-10-12-13(3)11-8/h7,9H,4-6H2,1-3H3.
What are the key properties of N-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]propan-2-amine?
N-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]propan-2-amine has a molecular weight of 199.26 g/mol, XLogP of -0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]propan-2-amine is sourced from PubChem (CID 107044416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).