ethane;N-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine

C13H30N2O — CID 156652038

IUPACethane;N-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine
SMILESCC.CC.CN1CCOC(CNC2CC2)C1
InChIInChI=1S/C9H18N2O.2C2H6/c1-11-4-5-12-9(7-11)6-10-8-2-3-8;2*1-2/h8-10H,2-7H2,1H3;2*1-2H3
InChIKeyWUOBZTAEMZZJEB-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.12
Rot. Bonds3

About ethane;N-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine

ethane;N-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine (PubChem CID 156652038) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is ethane;N-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound Nameethane;N-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine
PubChem CID156652038
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Nameethane;N-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine
SMILESCC.CC.CN1CCOC(CNC2CC2)C1
InChIInChI=1S/C9H18N2O.2C2H6/c1-11-4-5-12-9(7-11)6-10-8-2-3-8;2*1-2/h8-10H,2-7H2,1H3;2*1-2H3
InChIKeyWUOBZTAEMZZJEB-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine?
The IUPAC name of ethane;N-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine (CID 156652038) is ethane;N-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for ethane;N-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine?
The canonical SMILES for ethane;N-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine is CC.CC.CN1CCOC(CNC2CC2)C1.
What is the InChIKey of ethane;N-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine?
The InChIKey is WUOBZTAEMZZJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.2C2H6/c1-11-4-5-12-9(7-11)6-10-8-2-3-8;2*1-2/h8-10H,2-7H2,1H3;2*1-2H3.
What are the key properties of ethane;N-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine?
ethane;N-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine has a molecular weight of 230.40 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(4-methylmorpholin-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 156652038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).