ethane;methanamine;N'-[4-(methylamino)-5-oxopentyl]methanimidamide

C10H26N4O — CID 177242165

IUPACethane;methanamine;N'-[4-(methylamino)-5-oxopentyl]methanimidamide
SMILESCC.CN.CNC(C=O)CCC/N=C/N
InChIInChI=1S/C7H15N3O.C2H6.CH5N/c1-9-7(5-11)3-2-4-10-6-8;2*1-2/h5-7,9H,2-4H2,1H3,(H2,8,10);1-2H3;2H2,1H3
InChIKeyIINHBJAMGMMGKZ-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.14
Rot. Bonds6

About ethane;methanamine;N'-[4-(methylamino)-5-oxopentyl]methanimidamide

ethane;methanamine;N'-[4-(methylamino)-5-oxopentyl]methanimidamide (PubChem CID 177242165) has the molecular formula C10H26N4O and a molecular weight of 218.34 g/mol. Its IUPAC name is ethane;methanamine;N'-[4-(methylamino)-5-oxopentyl]methanimidamide.

Molecular Properties

Compound Nameethane;methanamine;N'-[4-(methylamino)-5-oxopentyl]methanimidamide
PubChem CID177242165
Molecular FormulaC10H26N4O
Molecular Weight218.34 g/mol
Exact Mass218.21
IUPAC Nameethane;methanamine;N'-[4-(methylamino)-5-oxopentyl]methanimidamide
SMILESCC.CN.CNC(C=O)CCC/N=C/N
InChIInChI=1S/C7H15N3O.C2H6.CH5N/c1-9-7(5-11)3-2-4-10-6-8;2*1-2/h5-7,9H,2-4H2,1H3,(H2,8,10);1-2H3;2H2,1H3
InChIKeyIINHBJAMGMMGKZ-UHFFFAOYSA-N
XLogP0.14
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethylideneamino)-2-(methylamino)pentanoic acid
CID 178031591
(2R)-6-azido-2-(methylamino)hexanal
CID 89131166
[4-(methylamino)-5-oxopentyl]urea
CID 123241233
(2S)-2-(methylamino)-4-sulfanylbutanal
CID 54280108
6-(tert-butylamino)-2-(methylamino)hexanal
CID 177039066
(2S)-4-methoxy-2-(methylamino)butanal
CID 145050464
N'-[5-(ethylideneamino)-3-formylpentyl]methanimidamide
CID 177007968
ethane;2-(methylamino)pentanedial;bis(2-(methylamino)propane-1,3-diol)
CID 178167308
2-[(4S)-4-(3-methylbutan-2-ylamino)-5-oxopentyl]guanidine
CID 118214123
N-[6-(aminomethylideneamino)-2-oxohexan-3-yl]-2-formamidoacetamide
CID 171544598
6-amino-2-[[7-amino-3-(methylamino)hept-1-en-2-yl]amino]hexanal
CID 171080465
3-(15N)azanylpropanoic acid;carbane;N-[5-((113C)methylamino)-6-oxohexyl]acetamide
CID 158444178

Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;N'-[4-(methylamino)-5-oxopentyl]methanimidamide?
The IUPAC name of ethane;methanamine;N'-[4-(methylamino)-5-oxopentyl]methanimidamide (CID 177242165) is ethane;methanamine;N'-[4-(methylamino)-5-oxopentyl]methanimidamide.
What is the SMILES notation for ethane;methanamine;N'-[4-(methylamino)-5-oxopentyl]methanimidamide?
The canonical SMILES for ethane;methanamine;N'-[4-(methylamino)-5-oxopentyl]methanimidamide is CC.CN.CNC(C=O)CCC/N=C/N.
What is the InChIKey of ethane;methanamine;N'-[4-(methylamino)-5-oxopentyl]methanimidamide?
The InChIKey is IINHBJAMGMMGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O.C2H6.CH5N/c1-9-7(5-11)3-2-4-10-6-8;2*1-2/h5-7,9H,2-4H2,1H3,(H2,8,10);1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;N'-[4-(methylamino)-5-oxopentyl]methanimidamide?
ethane;methanamine;N'-[4-(methylamino)-5-oxopentyl]methanimidamide has a molecular weight of 218.34 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;N'-[4-(methylamino)-5-oxopentyl]methanimidamide is sourced from PubChem (CID 177242165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).