(2S)-5-(diaminomethylideneamino)-2-[5-(diaminomethylideneamino)pentanoylamino]pentanamide

C12H26N8O2 — CID 58616882

IUPAC(2S)-5-(diaminomethylideneamino)-2-[5-(diaminomethylideneamino)pentanoylamino]pentanamide
SMILESNC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCN=C(N)N
InChIInChI=1S/C12H26N8O2/c13-10(22)8(4-3-7-19-12(16)17)20-9(21)5-1-2-6-18-11(14)15/h8H,1-7H2,(H2,13,22)(H,20,21)(H4,14,15,18)(H4,16,17,19)/t8-/m0/s1
InChIKeyYGVQPSPHTOEEHT-QMMMGPOBSA-N
MW314.39 g/mol
LogP-2.55
Rot. Bonds11

About (2S)-5-(diaminomethylideneamino)-2-[5-(diaminomethylideneamino)pentanoylamino]pentanamide

(2S)-5-(diaminomethylideneamino)-2-[5-(diaminomethylideneamino)pentanoylamino]pentanamide (PubChem CID 58616882) has the molecular formula C12H26N8O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2S)-5-(diaminomethylideneamino)-2-[5-(diaminomethylideneamino)pentanoylamino]pentanamide.

Molecular Properties

Compound Name(2S)-5-(diaminomethylideneamino)-2-[5-(diaminomethylideneamino)pentanoylamino]pentanamide
PubChem CID58616882
Molecular FormulaC12H26N8O2
Molecular Weight314.39 g/mol
Exact Mass314.22
IUPAC Name(2S)-5-(diaminomethylideneamino)-2-[5-(diaminomethylideneamino)pentanoylamino]pentanamide
SMILESNC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCN=C(N)N
InChIInChI=1S/C12H26N8O2/c13-10(22)8(4-3-7-19-12(16)17)20-9(21)5-1-2-6-18-11(14)15/h8H,1-7H2,(H2,13,22)(H,20,21)(H4,14,15,18)(H4,16,17,19)/t8-/m0/s1
InChIKeyYGVQPSPHTOEEHT-QMMMGPOBSA-N
XLogP-2.55
TPSA200.99 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.39
LogP ≤ 5-2.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

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'}

Analyze (2S)-5-(diaminomethylideneamino)-2-[5-(diaminomethylideneamino)pentanoylamino]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]undecanamide
CID 155426715
5-(diaminomethylideneamino)-2-[2-[5-(diaminomethylideneamino)pentanoylamino]propanoylamino]pentanamide
CID 134322834
methyl 4-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoate
CID 19347851
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
8-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-8-oxooctanoic acid
CID 118550139
5-(diaminomethylideneamino)-2-(8,8-dihydroxyoctanoylamino)pentanoic acid
CID 123566302
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
methyl (2S)-5-(diaminomethylideneamino)-2-(tridecanoylamino)pentanoate
CID 101199795

Frequently Asked Questions

What is the IUPAC name of (2S)-5-(diaminomethylideneamino)-2-[5-(diaminomethylideneamino)pentanoylamino]pentanamide?
The IUPAC name of (2S)-5-(diaminomethylideneamino)-2-[5-(diaminomethylideneamino)pentanoylamino]pentanamide (CID 58616882) is (2S)-5-(diaminomethylideneamino)-2-[5-(diaminomethylideneamino)pentanoylamino]pentanamide.
What is the SMILES notation for (2S)-5-(diaminomethylideneamino)-2-[5-(diaminomethylideneamino)pentanoylamino]pentanamide?
The canonical SMILES for (2S)-5-(diaminomethylideneamino)-2-[5-(diaminomethylideneamino)pentanoylamino]pentanamide is NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCN=C(N)N.
What is the InChIKey of (2S)-5-(diaminomethylideneamino)-2-[5-(diaminomethylideneamino)pentanoylamino]pentanamide?
The InChIKey is YGVQPSPHTOEEHT-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H26N8O2/c13-10(22)8(4-3-7-19-12(16)17)20-9(21)5-1-2-6-18-11(14)15/h8H,1-7H2,(H2,13,22)(H,20,21)(H4,14,15,18)(H4,16,17,19)/t8-/m0/s1.
What are the key properties of (2S)-5-(diaminomethylideneamino)-2-[5-(diaminomethylideneamino)pentanoylamino]pentanamide?
(2S)-5-(diaminomethylideneamino)-2-[5-(diaminomethylideneamino)pentanoylamino]pentanamide has a molecular weight of 314.39 g/mol, XLogP of -2.55, 11 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(diaminomethylideneamino)-2-[5-(diaminomethylideneamino)pentanoylamino]pentanamide is sourced from PubChem (CID 58616882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).