N-[(2-methyltetrazol-5-yl)methyl]cyclopent-3-en-1-amine

C8H13N5 — CID 107042696

IUPACN-[(2-methyltetrazol-5-yl)methyl]cyclopent-3-en-1-amine
SMILESCn1nnc(CNC2CC=CC2)n1
InChIInChI=1S/C8H13N5/c1-13-11-8(10-12-13)6-9-7-4-2-3-5-7/h2-3,7,9H,4-6H2,1H3
InChIKeyOKRCWMINLBLOHA-UHFFFAOYSA-N
MW179.23 g/mol
LogP0.02
Rot. Bonds3

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

N-[(2-methyltetrazol-5-yl)methyl]cyclopent-3-en-1-amine (PubChem CID 107042696) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is N-[(2-methyltetrazol-5-yl)methyl]cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-[(2-methyltetrazol-5-yl)methyl]cyclopent-3-en-1-amine
PubChem CID107042696
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC NameN-[(2-methyltetrazol-5-yl)methyl]cyclopent-3-en-1-amine
SMILESCn1nnc(CNC2CC=CC2)n1
InChIInChI=1S/C8H13N5/c1-13-11-8(10-12-13)6-9-7-4-2-3-5-7/h2-3,7,9H,4-6H2,1H3
InChIKeyOKRCWMINLBLOHA-UHFFFAOYSA-N
XLogP0.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2R)-4-fluoro-2,5-dihydro-1H-pyrrol-2-yl]-2-methyltetrazole
CID 174688845
6-(2-Prop-2-ynyltetrazol-5-yl)-1,2,3,6-tetrahydropyridine
CID 19612519
N-(2H-tetrazol-5-ylmethyl)hex-5-en-2-amine
CID 104655680
2-(cyclopenten-1-yl)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 106173854
N-[(2-methyltetrazol-5-yl)methyl]cyclohex-3-en-1-amine
CID 107042495
(E)-N-[(2-methyltetrazol-5-yl)methyl]pent-3-en-1-amine
CID 107042686
N-[(2-methyltetrazol-5-yl)methyl]but-3-en-1-amine
CID 107042687
N-[(2-methyltetrazol-5-yl)methyl]pent-4-en-2-amine
CID 107042689
N-[(2-methyltetrazol-5-yl)methyl]but-3-en-2-amine
CID 107042705
(E)-N-methyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
CID 107058710
(E)-N-ethyl-5-(2-methyltetrazol-5-yl)pent-3-en-1-amine
CID 107058714
(E)-5-(2-methyltetrazol-5-yl)-N-propylpent-3-en-1-amine
CID 107058717

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyltetrazol-5-yl)methyl]cyclopent-3-en-1-amine?
The IUPAC name of N-[(2-methyltetrazol-5-yl)methyl]cyclopent-3-en-1-amine (CID 107042696) is N-[(2-methyltetrazol-5-yl)methyl]cyclopent-3-en-1-amine.
What is the SMILES notation for N-[(2-methyltetrazol-5-yl)methyl]cyclopent-3-en-1-amine?
The canonical SMILES for N-[(2-methyltetrazol-5-yl)methyl]cyclopent-3-en-1-amine is Cn1nnc(CNC2CC=CC2)n1.
What is the InChIKey of N-[(2-methyltetrazol-5-yl)methyl]cyclopent-3-en-1-amine?
The InChIKey is OKRCWMINLBLOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-13-11-8(10-12-13)6-9-7-4-2-3-5-7/h2-3,7,9H,4-6H2,1H3.
What are the key properties of N-[(2-methyltetrazol-5-yl)methyl]cyclopent-3-en-1-amine?
N-[(2-methyltetrazol-5-yl)methyl]cyclopent-3-en-1-amine has a molecular weight of 179.23 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyltetrazol-5-yl)methyl]cyclopent-3-en-1-amine is sourced from PubChem (CID 107042696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).