N-[2-(cyclohexen-1-yl)ethyl]-1-methyltetrazol-5-amine

C10H17N5 — CID 63151911

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCCC1=CCCCC1
InChIInChI=1S/C10H17N5/c1-15-10(12-13-14-15)11-8-7-9-5-3-2-4-6-9/h5H,2-4,6-8H2,1H3,(H,11,12,14)
InChIKeyRVAPRENRLHUNJM-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.51
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-1-methyltetrazol-5-amine

N-[2-(cyclohexen-1-yl)ethyl]-1-methyltetrazol-5-amine (PubChem CID 63151911) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-methyltetrazol-5-amine
PubChem CID63151911
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCCC1=CCCCC1
InChIInChI=1S/C10H17N5/c1-15-10(12-13-14-15)11-8-7-9-5-3-2-4-6-9/h5H,2-4,6-8H2,1H3,(H,11,12,14)
InChIKeyRVAPRENRLHUNJM-UHFFFAOYSA-N
XLogP1.51
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.51
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-(cyclohexen-1-yl)ethyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-methyltetrazol-5-amine (CID 63151911) is N-[2-(cyclohexen-1-yl)ethyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-methyltetrazol-5-amine is Cn1nnnc1NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-methyltetrazol-5-amine?
The InChIKey is RVAPRENRLHUNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-15-10(12-13-14-15)11-8-7-9-5-3-2-4-6-9/h5H,2-4,6-8H2,1H3,(H,11,12,14).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-methyltetrazol-5-amine?
N-[2-(cyclohexen-1-yl)ethyl]-1-methyltetrazol-5-amine has a molecular weight of 207.28 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 63151911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).