N'-[5-(ethylideneamino)-3-formylpentyl]methanimidamide

C9H17N3O — CID 177007968

IUPACN'-[5-(ethylideneamino)-3-formylpentyl]methanimidamide
SMILESC/C=N/CCC(C=O)CC/N=C/N
InChIInChI=1S/C9H17N3O/c1-2-11-5-3-9(7-13)4-6-12-8-10/h2,7-9H,3-6H2,1H3,(H2,10,12)/b11-2+
InChIKeyLQLJTPKHUOZACN-BIIKFXOESA-N
MW183.25 g/mol
LogP0.66
Rot. Bonds7

About N'-[5-(ethylideneamino)-3-formylpentyl]methanimidamide

N'-[5-(ethylideneamino)-3-formylpentyl]methanimidamide (PubChem CID 177007968) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N'-[5-(ethylideneamino)-3-formylpentyl]methanimidamide.

Molecular Properties

Compound NameN'-[5-(ethylideneamino)-3-formylpentyl]methanimidamide
PubChem CID177007968
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN'-[5-(ethylideneamino)-3-formylpentyl]methanimidamide
SMILESC/C=N/CCC(C=O)CC/N=C/N
InChIInChI=1S/C9H17N3O/c1-2-11-5-3-9(7-13)4-6-12-8-10/h2,7-9H,3-6H2,1H3,(H2,10,12)/b11-2+
InChIKeyLQLJTPKHUOZACN-BIIKFXOESA-N
XLogP0.66
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.66
H-Bond Donors ≤ 51
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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Related Compounds

N-(3-methylsulfanylbutyl)ethanimine
CID 134429979
acetic acid;2-(ethylideneamino)ethanamine
CID 174738996
ethane;methanamine;N'-[4-(methylamino)-5-oxopentyl]methanimidamide
CID 177242165
N'-(2-oxoethyl)methanimidamide
CID 54256021
2-(2-aminoethyl)heptanal
CID 163417417
2-(2-chloroethyl)pentanal
CID 175205251
N-[2-(1-methylcyclopropyl)ethyl]ethanimine
CID 163453088
2-propylpentanedial
CID 86120951
acetaldehyde;(ethylideneamino)methanamine;N-[(ethylideneamino)methyl]ethanimine;methanediamine
CID 158477776
N'-[3-(ethylideneamino)propyl]butane-1,4-diamine
CID 118457305
1-methyltricosane-1,6,12,19-tetracarbaldehyde
CID 174477373
N-butylethanimine;ethane
CID 142024896

Frequently Asked Questions

What is the IUPAC name of N'-[5-(ethylideneamino)-3-formylpentyl]methanimidamide?
The IUPAC name of N'-[5-(ethylideneamino)-3-formylpentyl]methanimidamide (CID 177007968) is N'-[5-(ethylideneamino)-3-formylpentyl]methanimidamide.
What is the SMILES notation for N'-[5-(ethylideneamino)-3-formylpentyl]methanimidamide?
The canonical SMILES for N'-[5-(ethylideneamino)-3-formylpentyl]methanimidamide is C/C=N/CCC(C=O)CC/N=C/N.
What is the InChIKey of N'-[5-(ethylideneamino)-3-formylpentyl]methanimidamide?
The InChIKey is LQLJTPKHUOZACN-BIIKFXOESA-N. The full InChI is InChI=1S/C9H17N3O/c1-2-11-5-3-9(7-13)4-6-12-8-10/h2,7-9H,3-6H2,1H3,(H2,10,12)/b11-2+.
What are the key properties of N'-[5-(ethylideneamino)-3-formylpentyl]methanimidamide?
N'-[5-(ethylideneamino)-3-formylpentyl]methanimidamide has a molecular weight of 183.25 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(ethylideneamino)-3-formylpentyl]methanimidamide is sourced from PubChem (CID 177007968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).