N-[3-[3-(diaminomethylideneamino)propylamino]propyl]nonanamide

C16H35N5O — CID 11266997

IUPACN-[3-[3-(diaminomethylideneamino)propylamino]propyl]nonanamide
SMILESCCCCCCCCC(=O)NCCCNCCCN=C(N)N
InChIInChI=1S/C16H35N5O/c1-2-3-4-5-6-7-10-15(22)20-13-8-11-19-12-9-14-21-16(17)18/h19H,2-14H2,1H3,(H,20,22)(H4,17,18,21)
InChIKeyAOCUGNDVRWWPTI-UHFFFAOYSA-N
MW313.49 g/mol
LogP1.50
Rot. Bonds15

About N-[3-[3-(diaminomethylideneamino)propylamino]propyl]nonanamide

N-[3-[3-(diaminomethylideneamino)propylamino]propyl]nonanamide (PubChem CID 11266997) has the molecular formula C16H35N5O and a molecular weight of 313.49 g/mol. Its IUPAC name is N-[3-[3-(diaminomethylideneamino)propylamino]propyl]nonanamide.

Molecular Properties

Compound NameN-[3-[3-(diaminomethylideneamino)propylamino]propyl]nonanamide
PubChem CID11266997
Molecular FormulaC16H35N5O
Molecular Weight313.49 g/mol
Exact Mass313.28
IUPAC NameN-[3-[3-(diaminomethylideneamino)propylamino]propyl]nonanamide
SMILESCCCCCCCCC(=O)NCCCNCCCN=C(N)N
InChIInChI=1S/C16H35N5O/c1-2-3-4-5-6-7-10-15(22)20-13-8-11-19-12-9-14-21-16(17)18/h19H,2-14H2,1H3,(H,20,22)(H4,17,18,21)
InChIKeyAOCUGNDVRWWPTI-UHFFFAOYSA-N
XLogP1.50
TPSA105.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 51.50
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
N-[3-[3-(diaminomethylideneamino)propylamino]propyl]-N',N'-bis[3-(tetradecanoylamino)propyl]butanediamide
CID 11366343
N-[3-[3-(diaminomethylideneamino)propylamino]propyl]-N',N'-bis[3-(octanoylamino)propyl]butanediamide
CID 11354179
N-[3-[3-(diaminomethylideneamino)propylamino]propyl]-N',N'-bis[3-(undecanoylamino)propyl]butanediamide
CID 11456851
N-[3-[3-(diaminomethylideneamino)propylamino]propyl]-N',N'-bis[3-(pentanoylamino)propyl]butanediamide
CID 11226685
N-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214
N-[3-(2-hydroxyethylamino)propyl]docosanamide
CID 87068513
N-[3-[3-[4-[3-(5-oxotridecylamino)propylamino]butylamino]propylamino]propyl]nonanamide
CID 24992297
6-(diaminomethylideneamino)-N-[2-oxo-2-(propylamino)ethyl]hexanamide
CID 143157402
N-[6-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]tetradecanamide
CID 11283359
hexadecanamide;N-octadecyloctadecanamide
CID 174792473
N'-docosyldocosanediamide
CID 91257562

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(diaminomethylideneamino)propylamino]propyl]nonanamide?
The IUPAC name of N-[3-[3-(diaminomethylideneamino)propylamino]propyl]nonanamide (CID 11266997) is N-[3-[3-(diaminomethylideneamino)propylamino]propyl]nonanamide.
What is the SMILES notation for N-[3-[3-(diaminomethylideneamino)propylamino]propyl]nonanamide?
The canonical SMILES for N-[3-[3-(diaminomethylideneamino)propylamino]propyl]nonanamide is CCCCCCCCC(=O)NCCCNCCCN=C(N)N.
What is the InChIKey of N-[3-[3-(diaminomethylideneamino)propylamino]propyl]nonanamide?
The InChIKey is AOCUGNDVRWWPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N5O/c1-2-3-4-5-6-7-10-15(22)20-13-8-11-19-12-9-14-21-16(17)18/h19H,2-14H2,1H3,(H,20,22)(H4,17,18,21).
What are the key properties of N-[3-[3-(diaminomethylideneamino)propylamino]propyl]nonanamide?
N-[3-[3-(diaminomethylideneamino)propylamino]propyl]nonanamide has a molecular weight of 313.49 g/mol, XLogP of 1.50, 15 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(diaminomethylideneamino)propylamino]propyl]nonanamide is sourced from PubChem (CID 11266997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).