5-[4-[(cyclopropylamino)methyl]-N-methylanilino]pentan-1-ol

C16H26N2O — CID 107201217

IUPAC5-[4-[(cyclopropylamino)methyl]-N-methylanilino]pentan-1-ol
SMILESCN(CCCCCO)c1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H26N2O/c1-18(11-3-2-4-12-19)16-9-5-14(6-10-16)13-17-15-7-8-15/h5-6,9-10,15,17,19H,2-4,7-8,11-13H2,1H3
InChIKeyABOLZUQPAWNFSJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.54
Rot. Bonds9

About 5-[4-[(cyclopropylamino)methyl]-N-methylanilino]pentan-1-ol

5-[4-[(cyclopropylamino)methyl]-N-methylanilino]pentan-1-ol (PubChem CID 107201217) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-[4-[(cyclopropylamino)methyl]-N-methylanilino]pentan-1-ol.

Molecular Properties

Compound Name5-[4-[(cyclopropylamino)methyl]-N-methylanilino]pentan-1-ol
PubChem CID107201217
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name5-[4-[(cyclopropylamino)methyl]-N-methylanilino]pentan-1-ol
SMILESCN(CCCCCO)c1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H26N2O/c1-18(11-3-2-4-12-19)16-9-5-14(6-10-16)13-17-15-7-8-15/h5-6,9-10,15,17,19H,2-4,7-8,11-13H2,1H3
InChIKeyABOLZUQPAWNFSJ-UHFFFAOYSA-N
XLogP2.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(cyclopropylamino)methyl]-N-methylanilino]pentan-1-ol?
The IUPAC name of 5-[4-[(cyclopropylamino)methyl]-N-methylanilino]pentan-1-ol (CID 107201217) is 5-[4-[(cyclopropylamino)methyl]-N-methylanilino]pentan-1-ol.
What is the SMILES notation for 5-[4-[(cyclopropylamino)methyl]-N-methylanilino]pentan-1-ol?
The canonical SMILES for 5-[4-[(cyclopropylamino)methyl]-N-methylanilino]pentan-1-ol is CN(CCCCCO)c1ccc(CNC2CC2)cc1.
What is the InChIKey of 5-[4-[(cyclopropylamino)methyl]-N-methylanilino]pentan-1-ol?
The InChIKey is ABOLZUQPAWNFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(11-3-2-4-12-19)16-9-5-14(6-10-16)13-17-15-7-8-15/h5-6,9-10,15,17,19H,2-4,7-8,11-13H2,1H3.
What are the key properties of 5-[4-[(cyclopropylamino)methyl]-N-methylanilino]pentan-1-ol?
5-[4-[(cyclopropylamino)methyl]-N-methylanilino]pentan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(cyclopropylamino)methyl]-N-methylanilino]pentan-1-ol is sourced from PubChem (CID 107201217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).