N-(2-cyclopentylethyl)-2,2-dimethyl-1,3-dioxan-5-amine

C13H25NO2 — CID 106658581

IUPACN-(2-cyclopentylethyl)-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NCCC2CCCC2)CO1
InChIInChI=1S/C13H25NO2/c1-13(2)15-9-12(10-16-13)14-8-7-11-5-3-4-6-11/h11-12,14H,3-10H2,1-2H3
InChIKeyDTSQTQDKXZHYOH-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.31
Rot. Bonds4

About N-(2-cyclopentylethyl)-2,2-dimethyl-1,3-dioxan-5-amine

N-(2-cyclopentylethyl)-2,2-dimethyl-1,3-dioxan-5-amine (PubChem CID 106658581) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-2,2-dimethyl-1,3-dioxan-5-amine.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-2,2-dimethyl-1,3-dioxan-5-amine
PubChem CID106658581
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(2-cyclopentylethyl)-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NCCC2CCCC2)CO1
InChIInChI=1S/C13H25NO2/c1-13(2)15-9-12(10-16-13)14-8-7-11-5-3-4-6-11/h11-12,14H,3-10H2,1-2H3
InChIKeyDTSQTQDKXZHYOH-UHFFFAOYSA-N
XLogP2.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1,3-dioxan-5-amine
CID 102673023
N-(2-cyclohexylethyl)oxetan-3-amine
CID 63623286
N-(2-cycloheptylethyl)cyclopentanamine
CID 114457795
N-(2-cycloundecylethyl)cyclodecanamine
CID 155180877
N-(2-cyclopentylethyl)oxolan-3-amine
CID 63335422
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propanoic acid
CID 106658180
N-(2-cyclohexylethyl)-2,2-diethyloxan-4-amine
CID 83033801
N-(2-cyclopentylethyl)-4-ethylcyclohexan-1-amine
CID 63450135
N-(2-cyclohexylethyl)-5,5-dimethylpyrrolidin-3-amine
CID 115146067
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]acetamide
CID 106658128
N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 106658058
N-cyclooctyl-2,2-dimethyl-1,3-dioxan-5-amine
CID 113429645

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The IUPAC name of N-(2-cyclopentylethyl)-2,2-dimethyl-1,3-dioxan-5-amine (CID 106658581) is N-(2-cyclopentylethyl)-2,2-dimethyl-1,3-dioxan-5-amine.
What is the SMILES notation for N-(2-cyclopentylethyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The canonical SMILES for N-(2-cyclopentylethyl)-2,2-dimethyl-1,3-dioxan-5-amine is CC1(C)OCC(NCCC2CCCC2)CO1.
What is the InChIKey of N-(2-cyclopentylethyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The InChIKey is DTSQTQDKXZHYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(2)15-9-12(10-16-13)14-8-7-11-5-3-4-6-11/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-(2-cyclopentylethyl)-2,2-dimethyl-1,3-dioxan-5-amine?
N-(2-cyclopentylethyl)-2,2-dimethyl-1,3-dioxan-5-amine has a molecular weight of 227.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-2,2-dimethyl-1,3-dioxan-5-amine is sourced from PubChem (CID 106658581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).