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

C13H25NO2 — CID 104585245

IUPACN-(3,3-dimethylcyclopentyl)-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCC1(C)CCC(NC2COC(C)(C)OC2)C1
InChIInChI=1S/C13H25NO2/c1-12(2)6-5-10(7-12)14-11-8-15-13(3,4)16-9-11/h10-11,14H,5-9H2,1-4H3
InChIKeyIWSHVALBKRCSCQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.31
Rot. Bonds2

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

N-(3,3-dimethylcyclopentyl)-2,2-dimethyl-1,3-dioxan-5-amine (PubChem CID 104585245) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-2,2-dimethyl-1,3-dioxan-5-amine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-2,2-dimethyl-1,3-dioxan-5-amine
PubChem CID104585245
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(3,3-dimethylcyclopentyl)-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCC1(C)CCC(NC2COC(C)(C)OC2)C1
InChIInChI=1S/C13H25NO2/c1-12(2)6-5-10(7-12)14-11-8-15-13(3,4)16-9-11/h10-11,14H,5-9H2,1-4H3
InChIKeyIWSHVALBKRCSCQ-UHFFFAOYSA-N
XLogP2.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-2,2-dimethyl-1,3-dioxan-5-amine (CID 104585245) is N-(3,3-dimethylcyclopentyl)-2,2-dimethyl-1,3-dioxan-5-amine.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-2,2-dimethyl-1,3-dioxan-5-amine is CC1(C)CCC(NC2COC(C)(C)OC2)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The InChIKey is IWSHVALBKRCSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-12(2)6-5-10(7-12)14-11-8-15-13(3,4)16-9-11/h10-11,14H,5-9H2,1-4H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-2,2-dimethyl-1,3-dioxan-5-amine?
N-(3,3-dimethylcyclopentyl)-2,2-dimethyl-1,3-dioxan-5-amine has a molecular weight of 227.35 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-2,2-dimethyl-1,3-dioxan-5-amine is sourced from PubChem (CID 104585245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).