ethane;N-methylacetamide;propan-1-amine

C10H28N2O — CID 90749732

IUPACethane;N-methylacetamide;propan-1-amine
SMILESCC.CC.CCCN.CNC(C)=O
InChIInChI=1S/C3H7NO.C3H9N.2C2H6/c1-3(5)4-2;1-2-3-4;2*1-2/h1-2H3,(H,4,5);2-4H2,1H3;2*1-2H3
InChIKeyACALXULZDGBMMX-UHFFFAOYSA-N
MW192.35 g/mol
LogP2.16
Rot. Bonds1

About ethane;N-methylacetamide;propan-1-amine

ethane;N-methylacetamide;propan-1-amine (PubChem CID 90749732) has the molecular formula C10H28N2O and a molecular weight of 192.35 g/mol. Its IUPAC name is ethane;N-methylacetamide;propan-1-amine.

Molecular Properties

Compound Nameethane;N-methylacetamide;propan-1-amine
PubChem CID90749732
Molecular FormulaC10H28N2O
Molecular Weight192.35 g/mol
Exact Mass192.22
IUPAC Nameethane;N-methylacetamide;propan-1-amine
SMILESCC.CC.CCCN.CNC(C)=O
InChIInChI=1S/C3H7NO.C3H9N.2C2H6/c1-3(5)4-2;1-2-3-4;2*1-2/h1-2H3,(H,4,5);2-4H2,1H3;2*1-2H3
InChIKeyACALXULZDGBMMX-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methylacetamide;propan-1-amine?
The IUPAC name of ethane;N-methylacetamide;propan-1-amine (CID 90749732) is ethane;N-methylacetamide;propan-1-amine.
What is the SMILES notation for ethane;N-methylacetamide;propan-1-amine?
The canonical SMILES for ethane;N-methylacetamide;propan-1-amine is CC.CC.CCCN.CNC(C)=O.
What is the InChIKey of ethane;N-methylacetamide;propan-1-amine?
The InChIKey is ACALXULZDGBMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.C3H9N.2C2H6/c1-3(5)4-2;1-2-3-4;2*1-2/h1-2H3,(H,4,5);2-4H2,1H3;2*1-2H3.
What are the key properties of ethane;N-methylacetamide;propan-1-amine?
ethane;N-methylacetamide;propan-1-amine has a molecular weight of 192.35 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylacetamide;propan-1-amine is sourced from PubChem (CID 90749732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).