5-methyl-3-(2H-tetrazol-5-yl)heptan-3-amine

C9H19N5 — CID 61149608

IUPAC5-methyl-3-(2H-tetrazol-5-yl)heptan-3-amine
SMILESCCC(C)CC(N)(CC)c1nn[nH]n1
InChIInChI=1S/C9H19N5/c1-4-7(3)6-9(10,5-2)8-11-13-14-12-8/h7H,4-6,10H2,1-3H3,(H,11,12,13,14)
InChIKeyKYSNENJEJJEAET-UHFFFAOYSA-N
MW197.29 g/mol
LogP1.20
Rot. Bonds5

About 5-methyl-3-(2H-tetrazol-5-yl)heptan-3-amine

5-methyl-3-(2H-tetrazol-5-yl)heptan-3-amine (PubChem CID 61149608) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is 5-methyl-3-(2H-tetrazol-5-yl)heptan-3-amine.

Molecular Properties

Compound Name5-methyl-3-(2H-tetrazol-5-yl)heptan-3-amine
PubChem CID61149608
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name5-methyl-3-(2H-tetrazol-5-yl)heptan-3-amine
SMILESCCC(C)CC(N)(CC)c1nn[nH]n1
InChIInChI=1S/C9H19N5/c1-4-7(3)6-9(10,5-2)8-11-13-14-12-8/h7H,4-6,10H2,1-3H3,(H,11,12,13,14)
InChIKeyKYSNENJEJJEAET-UHFFFAOYSA-N
XLogP1.20
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2H-tetrazol-5-yl)heptan-3-amine?
The IUPAC name of 5-methyl-3-(2H-tetrazol-5-yl)heptan-3-amine (CID 61149608) is 5-methyl-3-(2H-tetrazol-5-yl)heptan-3-amine.
What is the SMILES notation for 5-methyl-3-(2H-tetrazol-5-yl)heptan-3-amine?
The canonical SMILES for 5-methyl-3-(2H-tetrazol-5-yl)heptan-3-amine is CCC(C)CC(N)(CC)c1nn[nH]n1.
What is the InChIKey of 5-methyl-3-(2H-tetrazol-5-yl)heptan-3-amine?
The InChIKey is KYSNENJEJJEAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-4-7(3)6-9(10,5-2)8-11-13-14-12-8/h7H,4-6,10H2,1-3H3,(H,11,12,13,14).
What are the key properties of 5-methyl-3-(2H-tetrazol-5-yl)heptan-3-amine?
5-methyl-3-(2H-tetrazol-5-yl)heptan-3-amine has a molecular weight of 197.29 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2H-tetrazol-5-yl)heptan-3-amine is sourced from PubChem (CID 61149608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).