ethane;1-(4-methyloxan-4-yl)pyrrolidin-3-amine

C12H26N2O — CID 145484766

IUPACethane;1-(4-methyloxan-4-yl)pyrrolidin-3-amine
SMILESCC.CC1(N2CCC(N)C2)CCOCC1
InChIInChI=1S/C10H20N2O.C2H6/c1-10(3-6-13-7-4-10)12-5-2-9(11)8-12;1-2/h9H,2-8,11H2,1H3;1-2H3
InChIKeyDRZAOTGPOKOCKL-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.61
Rot. Bonds1

About ethane;1-(4-methyloxan-4-yl)pyrrolidin-3-amine

ethane;1-(4-methyloxan-4-yl)pyrrolidin-3-amine (PubChem CID 145484766) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is ethane;1-(4-methyloxan-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Nameethane;1-(4-methyloxan-4-yl)pyrrolidin-3-amine
PubChem CID145484766
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Nameethane;1-(4-methyloxan-4-yl)pyrrolidin-3-amine
SMILESCC.CC1(N2CCC(N)C2)CCOCC1
InChIInChI=1S/C10H20N2O.C2H6/c1-10(3-6-13-7-4-10)12-5-2-9(11)8-12;1-2/h9H,2-8,11H2,1H3;1-2H3
InChIKeyDRZAOTGPOKOCKL-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methyloxan-4-yl)pyrrolidin-3-amine?
The IUPAC name of ethane;1-(4-methyloxan-4-yl)pyrrolidin-3-amine (CID 145484766) is ethane;1-(4-methyloxan-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for ethane;1-(4-methyloxan-4-yl)pyrrolidin-3-amine?
The canonical SMILES for ethane;1-(4-methyloxan-4-yl)pyrrolidin-3-amine is CC.CC1(N2CCC(N)C2)CCOCC1.
What is the InChIKey of ethane;1-(4-methyloxan-4-yl)pyrrolidin-3-amine?
The InChIKey is DRZAOTGPOKOCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C2H6/c1-10(3-6-13-7-4-10)12-5-2-9(11)8-12;1-2/h9H,2-8,11H2,1H3;1-2H3.
What are the key properties of ethane;1-(4-methyloxan-4-yl)pyrrolidin-3-amine?
ethane;1-(4-methyloxan-4-yl)pyrrolidin-3-amine has a molecular weight of 214.35 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methyloxan-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 145484766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).