N-(2,2-dimethyloxan-4-yl)-3,4-dihydro-2H-pyrrol-5-amine

C11H20N2O — CID 83033424

IUPACN-(2,2-dimethyloxan-4-yl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC1(C)CC(NC2=NCCC2)CCO1
InChIInChI=1S/C11H20N2O/c1-11(2)8-9(5-7-14-11)13-10-4-3-6-12-10/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyPWSRQHKMMUGCMF-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.73
Rot. Bonds1

About N-(2,2-dimethyloxan-4-yl)-3,4-dihydro-2H-pyrrol-5-amine

N-(2,2-dimethyloxan-4-yl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 83033424) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID83033424
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-(2,2-dimethyloxan-4-yl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC1(C)CC(NC2=NCCC2)CCO1
InChIInChI=1S/C11H20N2O/c1-11(2)8-9(5-7-14-11)13-10-4-3-6-12-10/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyPWSRQHKMMUGCMF-UHFFFAOYSA-N
XLogP1.73
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-3,4-dihydro-2H-pyrrol-5-amine (CID 83033424) is N-(2,2-dimethyloxan-4-yl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-3,4-dihydro-2H-pyrrol-5-amine is CC1(C)CC(NC2=NCCC2)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is PWSRQHKMMUGCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-11(2)8-9(5-7-14-11)13-10-4-3-6-12-10/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(2,2-dimethyloxan-4-yl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 196.29 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 83033424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).