N-ethyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine

C9H17N5 — CID 107050924

IUPACN-ethyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine
SMILESC=CCC(Cc1nnn(C)n1)NCC
InChIInChI=1S/C9H17N5/c1-4-6-8(10-5-2)7-9-11-13-14(3)12-9/h4,8,10H,1,5-7H2,2-3H3
InChIKeyBUZPZOVVEMXEII-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.31
Rot. Bonds6

About N-ethyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine

N-ethyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine (PubChem CID 107050924) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is N-ethyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine
PubChem CID107050924
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC NameN-ethyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine
SMILESC=CCC(Cc1nnn(C)n1)NCC
InChIInChI=1S/C9H17N5/c1-4-6-8(10-5-2)7-9-11-13-14(3)12-9/h4,8,10H,1,5-7H2,2-3H3
InChIKeyBUZPZOVVEMXEII-UHFFFAOYSA-N
XLogP0.31
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.31
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-ethyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine?
The IUPAC name of N-ethyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine (CID 107050924) is N-ethyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine.
What is the SMILES notation for N-ethyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine?
The canonical SMILES for N-ethyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine is C=CCC(Cc1nnn(C)n1)NCC.
What is the InChIKey of N-ethyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine?
The InChIKey is BUZPZOVVEMXEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-4-6-8(10-5-2)7-9-11-13-14(3)12-9/h4,8,10H,1,5-7H2,2-3H3.
What are the key properties of N-ethyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine?
N-ethyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine has a molecular weight of 195.27 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methyltetrazol-5-yl)pent-4-en-2-amine is sourced from PubChem (CID 107050924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).