N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentanamine

C11H21NO2 — CID 14747641

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentanamine
SMILESCC1(C)OCC(CNC2CCCC2)O1
InChIInChI=1S/C11H21NO2/c1-11(2)13-8-10(14-11)7-12-9-5-3-4-6-9/h9-10,12H,3-8H2,1-2H3
InChIKeyCAUBRSSONBHCEL-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds3

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentanamine

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentanamine (PubChem CID 14747641) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentanamine
PubChem CID14747641
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentanamine
SMILESCC1(C)OCC(CNC2CCCC2)O1
InChIInChI=1S/C11H21NO2/c1-11(2)13-8-10(14-11)7-12-9-5-3-4-6-9/h9-10,12H,3-8H2,1-2H3
InChIKeyCAUBRSSONBHCEL-UHFFFAOYSA-N
XLogP1.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentanamine (CID 14747641) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentanamine is CC1(C)OCC(CNC2CCCC2)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentanamine?
The InChIKey is CAUBRSSONBHCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2)13-8-10(14-11)7-12-9-5-3-4-6-9/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentanamine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentanamine has a molecular weight of 199.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclopentanamine is sourced from PubChem (CID 14747641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).