N-cyclopentyloxy-1-(1-methylindazol-3-yl)methanamine

C14H19N3O — CID 83235470

IUPACN-cyclopentyloxy-1-(1-methylindazol-3-yl)methanamine
SMILESCn1nc(CNOC2CCCC2)c2ccccc21
InChIInChI=1S/C14H19N3O/c1-17-14-9-5-4-8-12(14)13(16-17)10-15-18-11-6-2-3-7-11/h4-5,8-9,11,15H,2-3,6-7,10H2,1H3
InChIKeyONDBVPZVGMFCSA-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.54
Rot. Bonds4

About N-cyclopentyloxy-1-(1-methylindazol-3-yl)methanamine

N-cyclopentyloxy-1-(1-methylindazol-3-yl)methanamine (PubChem CID 83235470) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-cyclopentyloxy-1-(1-methylindazol-3-yl)methanamine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-(1-methylindazol-3-yl)methanamine
PubChem CID83235470
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-cyclopentyloxy-1-(1-methylindazol-3-yl)methanamine
SMILESCn1nc(CNOC2CCCC2)c2ccccc21
InChIInChI=1S/C14H19N3O/c1-17-14-9-5-4-8-12(14)13(16-17)10-15-18-11-6-2-3-7-11/h4-5,8-9,11,15H,2-3,6-7,10H2,1H3
InChIKeyONDBVPZVGMFCSA-UHFFFAOYSA-N
XLogP2.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-(1-methylindazol-3-yl)methanamine?
The IUPAC name of N-cyclopentyloxy-1-(1-methylindazol-3-yl)methanamine (CID 83235470) is N-cyclopentyloxy-1-(1-methylindazol-3-yl)methanamine.
What is the SMILES notation for N-cyclopentyloxy-1-(1-methylindazol-3-yl)methanamine?
The canonical SMILES for N-cyclopentyloxy-1-(1-methylindazol-3-yl)methanamine is Cn1nc(CNOC2CCCC2)c2ccccc21.
What is the InChIKey of N-cyclopentyloxy-1-(1-methylindazol-3-yl)methanamine?
The InChIKey is ONDBVPZVGMFCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17-14-9-5-4-8-12(14)13(16-17)10-15-18-11-6-2-3-7-11/h4-5,8-9,11,15H,2-3,6-7,10H2,1H3.
What are the key properties of N-cyclopentyloxy-1-(1-methylindazol-3-yl)methanamine?
N-cyclopentyloxy-1-(1-methylindazol-3-yl)methanamine has a molecular weight of 245.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-(1-methylindazol-3-yl)methanamine is sourced from PubChem (CID 83235470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).