ethane;2-ethyl-1-(2-methyl-1-oxopentan-2-yl)guanidine;N-methylethanamine;propane

C19H48N4O — CID 143244245

IUPACethane;2-ethyl-1-(2-methyl-1-oxopentan-2-yl)guanidine;N-methylethanamine;propane
SMILESCC.CC.CCC.CCCC(C)(C=O)N/C(N)=N/CC.CCNC
InChIInChI=1S/C9H19N3O.C3H9N.C3H8.2C2H6/c1-4-6-9(3,7-13)12-8(10)11-5-2;1-3-4-2;1-3-2;2*1-2/h7H,4-6H2,1-3H3,(H3,10,11,12);4H,3H2,1-2H3;3H2,1-2H3;2*1-2H3
InChIKeyDRCDTJDFKLFAOM-UHFFFAOYSA-N
MW348.62 g/mol
LogP4.36
Rot. Bonds6

About ethane;2-ethyl-1-(2-methyl-1-oxopentan-2-yl)guanidine;N-methylethanamine;propane

ethane;2-ethyl-1-(2-methyl-1-oxopentan-2-yl)guanidine;N-methylethanamine;propane (PubChem CID 143244245) has the molecular formula C19H48N4O and a molecular weight of 348.62 g/mol. Its IUPAC name is ethane;2-ethyl-1-(2-methyl-1-oxopentan-2-yl)guanidine;N-methylethanamine;propane.

Molecular Properties

Compound Nameethane;2-ethyl-1-(2-methyl-1-oxopentan-2-yl)guanidine;N-methylethanamine;propane
PubChem CID143244245
Molecular FormulaC19H48N4O
Molecular Weight348.62 g/mol
Exact Mass348.38
IUPAC Nameethane;2-ethyl-1-(2-methyl-1-oxopentan-2-yl)guanidine;N-methylethanamine;propane
SMILESCC.CC.CCC.CCCC(C)(C=O)N/C(N)=N/CC.CCNC
InChIInChI=1S/C9H19N3O.C3H9N.C3H8.2C2H6/c1-4-6-9(3,7-13)12-8(10)11-5-2;1-3-4-2;1-3-2;2*1-2/h7H,4-6H2,1-3H3,(H3,10,11,12);4H,3H2,1-2H3;3H2,1-2H3;2*1-2H3
InChIKeyDRCDTJDFKLFAOM-UHFFFAOYSA-N
XLogP4.36
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.62
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-1-(2-methyl-1-oxopentan-2-yl)guanidine;N-methylethanamine;propane?
The IUPAC name of ethane;2-ethyl-1-(2-methyl-1-oxopentan-2-yl)guanidine;N-methylethanamine;propane (CID 143244245) is ethane;2-ethyl-1-(2-methyl-1-oxopentan-2-yl)guanidine;N-methylethanamine;propane.
What is the SMILES notation for ethane;2-ethyl-1-(2-methyl-1-oxopentan-2-yl)guanidine;N-methylethanamine;propane?
The canonical SMILES for ethane;2-ethyl-1-(2-methyl-1-oxopentan-2-yl)guanidine;N-methylethanamine;propane is CC.CC.CCC.CCCC(C)(C=O)N/C(N)=N/CC.CCNC.
What is the InChIKey of ethane;2-ethyl-1-(2-methyl-1-oxopentan-2-yl)guanidine;N-methylethanamine;propane?
The InChIKey is DRCDTJDFKLFAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O.C3H9N.C3H8.2C2H6/c1-4-6-9(3,7-13)12-8(10)11-5-2;1-3-4-2;1-3-2;2*1-2/h7H,4-6H2,1-3H3,(H3,10,11,12);4H,3H2,1-2H3;3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-ethyl-1-(2-methyl-1-oxopentan-2-yl)guanidine;N-methylethanamine;propane?
ethane;2-ethyl-1-(2-methyl-1-oxopentan-2-yl)guanidine;N-methylethanamine;propane has a molecular weight of 348.62 g/mol, XLogP of 4.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-1-(2-methyl-1-oxopentan-2-yl)guanidine;N-methylethanamine;propane is sourced from PubChem (CID 143244245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).