2-(2H-tetrazol-5-yl)nonan-2-amine

C10H21N5 — CID 61149472

IUPAC2-(2H-tetrazol-5-yl)nonan-2-amine
SMILESCCCCCCCC(C)(N)c1nn[nH]n1
InChIInChI=1S/C10H21N5/c1-3-4-5-6-7-8-10(2,11)9-12-14-15-13-9/h3-8,11H2,1-2H3,(H,12,13,14,15)
InChIKeyDQIKEKGJUFIKHD-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.73
Rot. Bonds7

About 2-(2H-tetrazol-5-yl)nonan-2-amine

2-(2H-tetrazol-5-yl)nonan-2-amine (PubChem CID 61149472) has the molecular formula C10H21N5 and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)nonan-2-amine.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)nonan-2-amine
PubChem CID61149472
Molecular FormulaC10H21N5
Molecular Weight211.31 g/mol
Exact Mass211.18
IUPAC Name2-(2H-tetrazol-5-yl)nonan-2-amine
SMILESCCCCCCCC(C)(N)c1nn[nH]n1
InChIInChI=1S/C10H21N5/c1-3-4-5-6-7-8-10(2,11)9-12-14-15-13-9/h3-8,11H2,1-2H3,(H,12,13,14,15)
InChIKeyDQIKEKGJUFIKHD-UHFFFAOYSA-N
XLogP1.73
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(2H-tetrazol-5-yl)nonan-2-amine?
The IUPAC name of 2-(2H-tetrazol-5-yl)nonan-2-amine (CID 61149472) is 2-(2H-tetrazol-5-yl)nonan-2-amine.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)nonan-2-amine?
The canonical SMILES for 2-(2H-tetrazol-5-yl)nonan-2-amine is CCCCCCCC(C)(N)c1nn[nH]n1.
What is the InChIKey of 2-(2H-tetrazol-5-yl)nonan-2-amine?
The InChIKey is DQIKEKGJUFIKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5/c1-3-4-5-6-7-8-10(2,11)9-12-14-15-13-9/h3-8,11H2,1-2H3,(H,12,13,14,15).
What are the key properties of 2-(2H-tetrazol-5-yl)nonan-2-amine?
2-(2H-tetrazol-5-yl)nonan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-yl)nonan-2-amine is sourced from PubChem (CID 61149472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).