N,2-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine

C9H17N5 — CID 107053616

IUPACN,2-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine
SMILESC=CC(C)(CNC)Cc1nnn(C)n1
InChIInChI=1S/C9H17N5/c1-5-9(2,7-10-3)6-8-11-13-14(4)12-8/h5,10H,1,6-7H2,2-4H3
InChIKeyQEJKNKTYOSSSOR-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.16
Rot. Bonds5

About N,2-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine

N,2-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine (PubChem CID 107053616) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is N,2-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine
PubChem CID107053616
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC NameN,2-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine
SMILESC=CC(C)(CNC)Cc1nnn(C)n1
InChIInChI=1S/C9H17N5/c1-5-9(2,7-10-3)6-8-11-13-14(4)12-8/h5,10H,1,6-7H2,2-4H3
InChIKeyQEJKNKTYOSSSOR-UHFFFAOYSA-N
XLogP0.16
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine?
The IUPAC name of N,2-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine (CID 107053616) is N,2-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine.
What is the SMILES notation for N,2-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine?
The canonical SMILES for N,2-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine is C=CC(C)(CNC)Cc1nnn(C)n1.
What is the InChIKey of N,2-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine?
The InChIKey is QEJKNKTYOSSSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-5-9(2,7-10-3)6-8-11-13-14(4)12-8/h5,10H,1,6-7H2,2-4H3.
What are the key properties of N,2-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine?
N,2-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine has a molecular weight of 195.27 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine is sourced from PubChem (CID 107053616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).