2,2-dimethyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-1-amine

C10H21N5 — CID 107053099

IUPAC2,2-dimethyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)Cc1nnn(C)n1
InChIInChI=1S/C10H21N5/c1-5-6-11-8-10(2,3)7-9-12-14-15(4)13-9/h11H,5-8H2,1-4H3
InChIKeyDUUZFARJVZNWQZ-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.78
Rot. Bonds6

About 2,2-dimethyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-1-amine

2,2-dimethyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-1-amine (PubChem CID 107053099) has the molecular formula C10H21N5 and a molecular weight of 211.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-1-amine
PubChem CID107053099
Molecular FormulaC10H21N5
Molecular Weight211.31 g/mol
Exact Mass211.18
IUPAC Name2,2-dimethyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-1-amine
SMILESCCCNCC(C)(C)Cc1nnn(C)n1
InChIInChI=1S/C10H21N5/c1-5-6-11-8-10(2,3)7-9-12-14-15(4)13-9/h11H,5-8H2,1-4H3
InChIKeyDUUZFARJVZNWQZ-UHFFFAOYSA-N
XLogP0.78
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2,2-dimethyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-1-amine (CID 107053099) is 2,2-dimethyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-1-amine is CCCNCC(C)(C)Cc1nnn(C)n1.
What is the InChIKey of 2,2-dimethyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-1-amine?
The InChIKey is DUUZFARJVZNWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5/c1-5-6-11-8-10(2,3)7-9-12-14-15(4)13-9/h11H,5-8H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-1-amine?
2,2-dimethyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methyltetrazol-5-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 107053099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).