N-[(1-methylindazol-3-yl)methyl]cyclopent-3-en-1-amine

C14H17N3 — CID 113256963

IUPACN-[(1-methylindazol-3-yl)methyl]cyclopent-3-en-1-amine
SMILESCn1nc(CNC2CC=CC2)c2ccccc21
InChIInChI=1S/C14H17N3/c1-17-14-9-5-4-8-12(14)13(16-17)10-15-11-6-2-3-7-11/h2-5,8-9,11,15H,6-7,10H2,1H3
InChIKeyPOMHWWDKKCGQMW-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.38
Rot. Bonds3

About N-[(1-methylindazol-3-yl)methyl]cyclopent-3-en-1-amine

N-[(1-methylindazol-3-yl)methyl]cyclopent-3-en-1-amine (PubChem CID 113256963) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[(1-methylindazol-3-yl)methyl]cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-[(1-methylindazol-3-yl)methyl]cyclopent-3-en-1-amine
PubChem CID113256963
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-[(1-methylindazol-3-yl)methyl]cyclopent-3-en-1-amine
SMILESCn1nc(CNC2CC=CC2)c2ccccc21
InChIInChI=1S/C14H17N3/c1-17-14-9-5-4-8-12(14)13(16-17)10-15-11-6-2-3-7-11/h2-5,8-9,11,15H,6-7,10H2,1H3
InChIKeyPOMHWWDKKCGQMW-UHFFFAOYSA-N
XLogP2.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(1-methylindazol-3-yl)methyl]cyclopent-3-en-1-amine?
The IUPAC name of N-[(1-methylindazol-3-yl)methyl]cyclopent-3-en-1-amine (CID 113256963) is N-[(1-methylindazol-3-yl)methyl]cyclopent-3-en-1-amine.
What is the SMILES notation for N-[(1-methylindazol-3-yl)methyl]cyclopent-3-en-1-amine?
The canonical SMILES for N-[(1-methylindazol-3-yl)methyl]cyclopent-3-en-1-amine is Cn1nc(CNC2CC=CC2)c2ccccc21.
What is the InChIKey of N-[(1-methylindazol-3-yl)methyl]cyclopent-3-en-1-amine?
The InChIKey is POMHWWDKKCGQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-17-14-9-5-4-8-12(14)13(16-17)10-15-11-6-2-3-7-11/h2-5,8-9,11,15H,6-7,10H2,1H3.
What are the key properties of N-[(1-methylindazol-3-yl)methyl]cyclopent-3-en-1-amine?
N-[(1-methylindazol-3-yl)methyl]cyclopent-3-en-1-amine has a molecular weight of 227.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindazol-3-yl)methyl]cyclopent-3-en-1-amine is sourced from PubChem (CID 113256963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).