ethane;4-imino-5-methyl-1,3-dipropylimidazolidin-2-one

C14H31N3O — CID 156894013

IUPACethane;4-imino-5-methyl-1,3-dipropylimidazolidin-2-one
SMILESCC.CC.[H]/N=C1\C(C)N(CCC)C(=O)N1CCC
InChIInChI=1S/C10H19N3O.2C2H6/c1-4-6-12-8(3)9(11)13(7-5-2)10(12)14;2*1-2/h8,11H,4-7H2,1-3H3;2*1-2H3/b11-9+;;
InChIKeyLXOGIZOVDUCBIS-OTBYXNOXSA-N
MW257.42 g/mol
LogP3.96
Rot. Bonds4

About ethane;4-imino-5-methyl-1,3-dipropylimidazolidin-2-one

ethane;4-imino-5-methyl-1,3-dipropylimidazolidin-2-one (PubChem CID 156894013) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is ethane;4-imino-5-methyl-1,3-dipropylimidazolidin-2-one.

Molecular Properties

Compound Nameethane;4-imino-5-methyl-1,3-dipropylimidazolidin-2-one
PubChem CID156894013
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Nameethane;4-imino-5-methyl-1,3-dipropylimidazolidin-2-one
SMILESCC.CC.[H]/N=C1\C(C)N(CCC)C(=O)N1CCC
InChIInChI=1S/C10H19N3O.2C2H6/c1-4-6-12-8(3)9(11)13(7-5-2)10(12)14;2*1-2/h8,11H,4-7H2,1-3H3;2*1-2H3/b11-9+;;
InChIKeyLXOGIZOVDUCBIS-OTBYXNOXSA-N
XLogP3.96
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;4-imino-5-methyl-1,3-dipropylimidazolidin-2-one?
The IUPAC name of ethane;4-imino-5-methyl-1,3-dipropylimidazolidin-2-one (CID 156894013) is ethane;4-imino-5-methyl-1,3-dipropylimidazolidin-2-one.
What is the SMILES notation for ethane;4-imino-5-methyl-1,3-dipropylimidazolidin-2-one?
The canonical SMILES for ethane;4-imino-5-methyl-1,3-dipropylimidazolidin-2-one is CC.CC.[H]/N=C1\C(C)N(CCC)C(=O)N1CCC.
What is the InChIKey of ethane;4-imino-5-methyl-1,3-dipropylimidazolidin-2-one?
The InChIKey is LXOGIZOVDUCBIS-OTBYXNOXSA-N. The full InChI is InChI=1S/C10H19N3O.2C2H6/c1-4-6-12-8(3)9(11)13(7-5-2)10(12)14;2*1-2/h8,11H,4-7H2,1-3H3;2*1-2H3/b11-9+;;.
What are the key properties of ethane;4-imino-5-methyl-1,3-dipropylimidazolidin-2-one?
ethane;4-imino-5-methyl-1,3-dipropylimidazolidin-2-one has a molecular weight of 257.42 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-imino-5-methyl-1,3-dipropylimidazolidin-2-one is sourced from PubChem (CID 156894013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).