1-[[N-methyl-2-[1-(methylamino)ethyl]anilino]methyl]cyclopentan-1-ol

C16H26N2O — CID 114949985

IUPAC1-[[N-methyl-2-[1-(methylamino)ethyl]anilino]methyl]cyclopentan-1-ol
SMILESCNC(C)c1ccccc1N(C)CC1(O)CCCC1
InChIInChI=1S/C16H26N2O/c1-13(17-2)14-8-4-5-9-15(14)18(3)12-16(19)10-6-7-11-16/h4-5,8-9,13,17,19H,6-7,10-12H2,1-3H3
InChIKeyBWLNWBOWEOREKQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.71
Rot. Bonds5

About 1-[[N-methyl-2-[1-(methylamino)ethyl]anilino]methyl]cyclopentan-1-ol

1-[[N-methyl-2-[1-(methylamino)ethyl]anilino]methyl]cyclopentan-1-ol (PubChem CID 114949985) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[[N-methyl-2-[1-(methylamino)ethyl]anilino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[N-methyl-2-[1-(methylamino)ethyl]anilino]methyl]cyclopentan-1-ol
PubChem CID114949985
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[[N-methyl-2-[1-(methylamino)ethyl]anilino]methyl]cyclopentan-1-ol
SMILESCNC(C)c1ccccc1N(C)CC1(O)CCCC1
InChIInChI=1S/C16H26N2O/c1-13(17-2)14-8-4-5-9-15(14)18(3)12-16(19)10-6-7-11-16/h4-5,8-9,13,17,19H,6-7,10-12H2,1-3H3
InChIKeyBWLNWBOWEOREKQ-UHFFFAOYSA-N
XLogP2.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[N-methyl-2-[1-(methylamino)ethyl]anilino]methyl]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[N-methyl-2-[1-(methylamino)ethyl]anilino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[N-methyl-2-[1-(methylamino)ethyl]anilino]methyl]cyclopentan-1-ol (CID 114949985) is 1-[[N-methyl-2-[1-(methylamino)ethyl]anilino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[N-methyl-2-[1-(methylamino)ethyl]anilino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[N-methyl-2-[1-(methylamino)ethyl]anilino]methyl]cyclopentan-1-ol is CNC(C)c1ccccc1N(C)CC1(O)CCCC1.
What is the InChIKey of 1-[[N-methyl-2-[1-(methylamino)ethyl]anilino]methyl]cyclopentan-1-ol?
The InChIKey is BWLNWBOWEOREKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(17-2)14-8-4-5-9-15(14)18(3)12-16(19)10-6-7-11-16/h4-5,8-9,13,17,19H,6-7,10-12H2,1-3H3.
What are the key properties of 1-[[N-methyl-2-[1-(methylamino)ethyl]anilino]methyl]cyclopentan-1-ol?
1-[[N-methyl-2-[1-(methylamino)ethyl]anilino]methyl]cyclopentan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[N-methyl-2-[1-(methylamino)ethyl]anilino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114949985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).