N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]undecanamide

C17H35N5O2 — CID 155426715

IUPACN-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]undecanamide
SMILESCCCCCCCCCCC(=O)NC(CCCN=C(N)N)C(N)=O
InChIInChI=1S/C17H35N5O2/c1-2-3-4-5-6-7-8-9-12-15(23)22-14(16(18)24)11-10-13-21-17(19)20/h14H,2-13H2,1H3,(H2,18,24)(H,22,23)(H4,19,20,21)
InChIKeyJGSQATHRZPODHV-UHFFFAOYSA-N
MW341.50 g/mol
LogP1.54
Rot. Bonds15

About N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]undecanamide

N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]undecanamide (PubChem CID 155426715) has the molecular formula C17H35N5O2 and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]undecanamide.

Molecular Properties

Compound NameN-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]undecanamide
PubChem CID155426715
Molecular FormulaC17H35N5O2
Molecular Weight341.50 g/mol
Exact Mass341.28
IUPAC NameN-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]undecanamide
SMILESCCCCCCCCCCC(=O)NC(CCCN=C(N)N)C(N)=O
InChIInChI=1S/C17H35N5O2/c1-2-3-4-5-6-7-8-9-12-15(23)22-14(16(18)24)11-10-13-21-17(19)20/h14H,2-13H2,1H3,(H2,18,24)(H,22,23)(H4,19,20,21)
InChIKeyJGSQATHRZPODHV-UHFFFAOYSA-N
XLogP1.54
TPSA136.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 51.54
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-[3-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-oxopropyl]tetradecanamide
CID 11316991
N-[3-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-oxopropyl]icosanamide
CID 25198273
N-[6-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]tetradecanamide
CID 11283359
N-[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]hexadecanamide
CID 143986854
(2S)-5-(diaminomethylideneamino)-2-[5-(diaminomethylideneamino)pentanoylamino]pentanamide
CID 58616882
methyl (2S)-5-(diaminomethylideneamino)-2-(tridecanoylamino)pentanoate
CID 101199795
N-[4-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutyl]hexadecanamide
CID 11239812
N-[6-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]hexadecanamide
CID 11239873
N-[(2S)-5-(diaminomethylideneamino)-1-(octylamino)-1-oxopentan-2-yl]hexadecanamide
CID 135364119
N-[(2S)-5-(diaminomethylideneamino)-1-(dodecylamino)-1-oxopentan-2-yl]icosanamide
CID 135363876
N-[(2S)-1-[10-[[(2S)-2-(decanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]decylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]decanamide
CID 102585613
butyl (2S)-5-(diaminomethylideneamino)-2-(octanoylamino)pentanoate
CID 139763938

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]undecanamide?
The IUPAC name of N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]undecanamide (CID 155426715) is N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]undecanamide.
What is the SMILES notation for N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]undecanamide?
The canonical SMILES for N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]undecanamide is CCCCCCCCCCC(=O)NC(CCCN=C(N)N)C(N)=O.
What is the InChIKey of N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]undecanamide?
The InChIKey is JGSQATHRZPODHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N5O2/c1-2-3-4-5-6-7-8-9-12-15(23)22-14(16(18)24)11-10-13-21-17(19)20/h14H,2-13H2,1H3,(H2,18,24)(H,22,23)(H4,19,20,21).
What are the key properties of N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]undecanamide?
N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]undecanamide has a molecular weight of 341.50 g/mol, XLogP of 1.54, 15 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]undecanamide is sourced from PubChem (CID 155426715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).