3-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylpropan-1-amine

C6H15N7 — CID 72950777

IUPAC3-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN(N)c1nn[nH]n1
InChIInChI=1S/C6H15N7/c1-12(2)4-3-5-13(7)6-8-10-11-9-6/h3-5,7H2,1-2H3,(H,8,9,10,11)
InChIKeyCXRVLCVBPAHZTB-UHFFFAOYSA-N
MW185.23 g/mol
LogP-1.17
Rot. Bonds5

About 3-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylpropan-1-amine

3-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylpropan-1-amine (PubChem CID 72950777) has the molecular formula C6H15N7 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylpropan-1-amine
PubChem CID72950777
Molecular FormulaC6H15N7
Molecular Weight185.23 g/mol
Exact Mass185.14
IUPAC Name3-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN(N)c1nn[nH]n1
InChIInChI=1S/C6H15N7/c1-12(2)4-3-5-13(7)6-8-10-11-9-6/h3-5,7H2,1-2H3,(H,8,9,10,11)
InChIKeyCXRVLCVBPAHZTB-UHFFFAOYSA-N
XLogP-1.17
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylpropan-1-amine (CID 72950777) is 3-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylpropan-1-amine is CN(C)CCCN(N)c1nn[nH]n1.
What is the InChIKey of 3-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylpropan-1-amine?
The InChIKey is CXRVLCVBPAHZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N7/c1-12(2)4-3-5-13(7)6-8-10-11-9-6/h3-5,7H2,1-2H3,(H,8,9,10,11).
What are the key properties of 3-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylpropan-1-amine?
3-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylpropan-1-amine has a molecular weight of 185.23 g/mol, XLogP of -1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(2H-tetrazol-5-yl)amino]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 72950777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).