6-(diaminomethylideneamino)-N-[2-oxo-2-(propylamino)ethyl]hexanamide

C12H25N5O2 — CID 143157402

IUPAC6-(diaminomethylideneamino)-N-[2-oxo-2-(propylamino)ethyl]hexanamide
SMILESCCCNC(=O)CNC(=O)CCCCCN=C(N)N
InChIInChI=1S/C12H25N5O2/c1-2-7-15-11(19)9-17-10(18)6-4-3-5-8-16-12(13)14/h2-9H2,1H3,(H,15,19)(H,17,18)(H4,13,14,16)
InChIKeyTVAMMGLCJZLHFZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.54
Rot. Bonds10

About 6-(diaminomethylideneamino)-N-[2-oxo-2-(propylamino)ethyl]hexanamide

6-(diaminomethylideneamino)-N-[2-oxo-2-(propylamino)ethyl]hexanamide (PubChem CID 143157402) has the molecular formula C12H25N5O2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-(diaminomethylideneamino)-N-[2-oxo-2-(propylamino)ethyl]hexanamide.

Molecular Properties

Compound Name6-(diaminomethylideneamino)-N-[2-oxo-2-(propylamino)ethyl]hexanamide
PubChem CID143157402
Molecular FormulaC12H25N5O2
Molecular Weight271.36 g/mol
Exact Mass271.20
IUPAC Name6-(diaminomethylideneamino)-N-[2-oxo-2-(propylamino)ethyl]hexanamide
SMILESCCCNC(=O)CNC(=O)CCCCCN=C(N)N
InChIInChI=1S/C12H25N5O2/c1-2-7-15-11(19)9-17-10(18)6-4-3-5-8-16-12(13)14/h2-9H2,1H3,(H,15,19)(H,17,18)(H4,13,14,16)
InChIKeyTVAMMGLCJZLHFZ-UHFFFAOYSA-N
XLogP-0.54
TPSA122.60 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

N-[5-(diaminomethylideneamino)pentyl]docosanamide
CID 135363931
5-(diaminomethylideneamino)-N-ethylpentanamide
CID 123296097
N-[3-[3-(diaminomethylideneamino)propylamino]propyl]nonanamide
CID 11266997
N,N'-dipropyldecanediamide
CID 102239298
N-[2-(nonylamino)-2-oxoethyl]decanamide
CID 166872339
N-[2-(2-aminoethoxy)ethyl]-5-(diaminomethylideneamino)pentanamide
CID 144951076
5-(diaminomethylideneamino)-N-(2-octyldecyl)pentanamide
CID 139836172
N-[2-(2-aminoethylamino)-2-oxoethyl]heptadecanamide
CID 102194596
5-(diaminomethylideneamino)-N-methylpentanamide
CID 122591455
N-[2-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]tetradecanamide
CID 11467492
ethane;N-propylheptanamide
CID 145289188
N-[3-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-oxopropyl]icosanamide
CID 25198273

Frequently Asked Questions

What is the IUPAC name of 6-(diaminomethylideneamino)-N-[2-oxo-2-(propylamino)ethyl]hexanamide?
The IUPAC name of 6-(diaminomethylideneamino)-N-[2-oxo-2-(propylamino)ethyl]hexanamide (CID 143157402) is 6-(diaminomethylideneamino)-N-[2-oxo-2-(propylamino)ethyl]hexanamide.
What is the SMILES notation for 6-(diaminomethylideneamino)-N-[2-oxo-2-(propylamino)ethyl]hexanamide?
The canonical SMILES for 6-(diaminomethylideneamino)-N-[2-oxo-2-(propylamino)ethyl]hexanamide is CCCNC(=O)CNC(=O)CCCCCN=C(N)N.
What is the InChIKey of 6-(diaminomethylideneamino)-N-[2-oxo-2-(propylamino)ethyl]hexanamide?
The InChIKey is TVAMMGLCJZLHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O2/c1-2-7-15-11(19)9-17-10(18)6-4-3-5-8-16-12(13)14/h2-9H2,1H3,(H,15,19)(H,17,18)(H4,13,14,16).
What are the key properties of 6-(diaminomethylideneamino)-N-[2-oxo-2-(propylamino)ethyl]hexanamide?
6-(diaminomethylideneamino)-N-[2-oxo-2-(propylamino)ethyl]hexanamide has a molecular weight of 271.36 g/mol, XLogP of -0.54, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diaminomethylideneamino)-N-[2-oxo-2-(propylamino)ethyl]hexanamide is sourced from PubChem (CID 143157402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).