2,2-dimethyl-3-[2-(N-methylanilino)propylamino]cyclopentan-1-ol

C17H28N2O — CID 166383064

IUPAC2,2-dimethyl-3-[2-(N-methylanilino)propylamino]cyclopentan-1-ol
SMILESCC(CNC1CCC(O)C1(C)C)N(C)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-13(19(4)14-8-6-5-7-9-14)12-18-15-10-11-16(20)17(15,2)3/h5-9,13,15-16,18,20H,10-12H2,1-4H3
InChIKeyYUKWBWGMXMYJKI-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.65
Rot. Bonds5

About 2,2-dimethyl-3-[2-(N-methylanilino)propylamino]cyclopentan-1-ol

2,2-dimethyl-3-[2-(N-methylanilino)propylamino]cyclopentan-1-ol (PubChem CID 166383064) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-(N-methylanilino)propylamino]cyclopentan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[2-(N-methylanilino)propylamino]cyclopentan-1-ol
PubChem CID166383064
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2,2-dimethyl-3-[2-(N-methylanilino)propylamino]cyclopentan-1-ol
SMILESCC(CNC1CCC(O)C1(C)C)N(C)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-13(19(4)14-8-6-5-7-9-14)12-18-15-10-11-16(20)17(15,2)3/h5-9,13,15-16,18,20H,10-12H2,1-4H3
InChIKeyYUKWBWGMXMYJKI-UHFFFAOYSA-N
XLogP2.65
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[2-(N-methylanilino)propylamino]cyclopentan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[2-(N-methylanilino)propylamino]cyclopentan-1-ol (CID 166383064) is 2,2-dimethyl-3-[2-(N-methylanilino)propylamino]cyclopentan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[2-(N-methylanilino)propylamino]cyclopentan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[2-(N-methylanilino)propylamino]cyclopentan-1-ol is CC(CNC1CCC(O)C1(C)C)N(C)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-3-[2-(N-methylanilino)propylamino]cyclopentan-1-ol?
The InChIKey is YUKWBWGMXMYJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(19(4)14-8-6-5-7-9-14)12-18-15-10-11-16(20)17(15,2)3/h5-9,13,15-16,18,20H,10-12H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-[2-(N-methylanilino)propylamino]cyclopentan-1-ol?
2,2-dimethyl-3-[2-(N-methylanilino)propylamino]cyclopentan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[2-(N-methylanilino)propylamino]cyclopentan-1-ol is sourced from PubChem (CID 166383064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).