3-[[amino(ethylamino)methylidene]amino]propanamide

C6H14N4O — CID 62361753

IUPAC3-[[amino(ethylamino)methylidene]amino]propanamide
SMILESCCN/C(N)=N/CCC(N)=O
InChIInChI=1S/C6H14N4O/c1-2-9-6(8)10-4-3-5(7)11/h2-4H2,1H3,(H2,7,11)(H3,8,9,10)
InChIKeyWXWWTDAKCIDQNJ-UHFFFAOYSA-N
MW158.21 g/mol
LogP-1.21
Rot. Bonds4

About 3-[[amino(ethylamino)methylidene]amino]propanamide

3-[[amino(ethylamino)methylidene]amino]propanamide (PubChem CID 62361753) has the molecular formula C6H14N4O and a molecular weight of 158.21 g/mol. Its IUPAC name is 3-[[amino(ethylamino)methylidene]amino]propanamide.

Molecular Properties

Compound Name3-[[amino(ethylamino)methylidene]amino]propanamide
PubChem CID62361753
Molecular FormulaC6H14N4O
Molecular Weight158.21 g/mol
Exact Mass158.12
IUPAC Name3-[[amino(ethylamino)methylidene]amino]propanamide
SMILESCCN/C(N)=N/CCC(N)=O
InChIInChI=1S/C6H14N4O/c1-2-9-6(8)10-4-3-5(7)11/h2-4H2,1H3,(H2,7,11)(H3,8,9,10)
InChIKeyWXWWTDAKCIDQNJ-UHFFFAOYSA-N
XLogP-1.21
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.21
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[amino(ethylamino)methylidene]amino]butanamide
CID 62363745
3-[[amino(ethylamino)methylidene]amino]-N-cyclopropylpropanamide
CID 79401114
1-ethyl-2-nonylguanidine
CID 111034740
1-ethyl-2-(2-sulfamoylethyl)guanidine
CID 62364849
(2S)-2-amino-4-[[amino(ethylamino)methylidene]amino]butanoic acid
CID 11286925
2-(aminomethyl)-1-ethylguanidine
CID 123525556
(2R)-2-amino-5-[[amino(ethylamino)methylidene]amino]pentanoic acid
CID 10798159
1-ethyl-2-hex-5-ynylguanidine
CID 103757239
3-[[amino-(cyclopentylamino)methylidene]amino]propanamide
CID 62364509
N-ethyloctadecanamide;octadecanamide
CID 159879248
N'-ethylnonanediamide
CID 18377762
N'-ethyldodecanediamide
CID 175230920

Frequently Asked Questions

What is the IUPAC name of 3-[[amino(ethylamino)methylidene]amino]propanamide?
The IUPAC name of 3-[[amino(ethylamino)methylidene]amino]propanamide (CID 62361753) is 3-[[amino(ethylamino)methylidene]amino]propanamide.
What is the SMILES notation for 3-[[amino(ethylamino)methylidene]amino]propanamide?
The canonical SMILES for 3-[[amino(ethylamino)methylidene]amino]propanamide is CCN/C(N)=N/CCC(N)=O.
What is the InChIKey of 3-[[amino(ethylamino)methylidene]amino]propanamide?
The InChIKey is WXWWTDAKCIDQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O/c1-2-9-6(8)10-4-3-5(7)11/h2-4H2,1H3,(H2,7,11)(H3,8,9,10).
What are the key properties of 3-[[amino(ethylamino)methylidene]amino]propanamide?
3-[[amino(ethylamino)methylidene]amino]propanamide has a molecular weight of 158.21 g/mol, XLogP of -1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino(ethylamino)methylidene]amino]propanamide is sourced from PubChem (CID 62361753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).