4-(2H-tetrazol-5-yl)heptan-4-amine

C8H17N5 — CID 61149475

IUPAC4-(2H-tetrazol-5-yl)heptan-4-amine
SMILESCCCC(N)(CCC)c1nn[nH]n1
InChIInChI=1S/C8H17N5/c1-3-5-8(9,6-4-2)7-10-12-13-11-7/h3-6,9H2,1-2H3,(H,10,11,12,13)
InChIKeyIHMXEXCUSXTTLP-UHFFFAOYSA-N
MW183.26 g/mol
LogP0.95
Rot. Bonds5

About 4-(2H-tetrazol-5-yl)heptan-4-amine

4-(2H-tetrazol-5-yl)heptan-4-amine (PubChem CID 61149475) has the molecular formula C8H17N5 and a molecular weight of 183.26 g/mol. Its IUPAC name is 4-(2H-tetrazol-5-yl)heptan-4-amine.

Molecular Properties

Compound Name4-(2H-tetrazol-5-yl)heptan-4-amine
PubChem CID61149475
Molecular FormulaC8H17N5
Molecular Weight183.26 g/mol
Exact Mass183.15
IUPAC Name4-(2H-tetrazol-5-yl)heptan-4-amine
SMILESCCCC(N)(CCC)c1nn[nH]n1
InChIInChI=1S/C8H17N5/c1-3-5-8(9,6-4-2)7-10-12-13-11-7/h3-6,9H2,1-2H3,(H,10,11,12,13)
InChIKeyIHMXEXCUSXTTLP-UHFFFAOYSA-N
XLogP0.95
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2H-tetrazol-5-yl)heptan-4-amine?
The IUPAC name of 4-(2H-tetrazol-5-yl)heptan-4-amine (CID 61149475) is 4-(2H-tetrazol-5-yl)heptan-4-amine.
What is the SMILES notation for 4-(2H-tetrazol-5-yl)heptan-4-amine?
The canonical SMILES for 4-(2H-tetrazol-5-yl)heptan-4-amine is CCCC(N)(CCC)c1nn[nH]n1.
What is the InChIKey of 4-(2H-tetrazol-5-yl)heptan-4-amine?
The InChIKey is IHMXEXCUSXTTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5/c1-3-5-8(9,6-4-2)7-10-12-13-11-7/h3-6,9H2,1-2H3,(H,10,11,12,13).
What are the key properties of 4-(2H-tetrazol-5-yl)heptan-4-amine?
4-(2H-tetrazol-5-yl)heptan-4-amine has a molecular weight of 183.26 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-tetrazol-5-yl)heptan-4-amine is sourced from PubChem (CID 61149475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).