5-(diaminomethylideneamino)-2-(ethylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide

C13H28N6O2 — CID 177369506

IUPAC5-(diaminomethylideneamino)-2-(ethylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
SMILESCCNC(CCCN=C(N)N)C(=O)NCC(=O)NC(C)C
InChIInChI=1S/C13H28N6O2/c1-4-16-10(6-5-7-17-13(14)15)12(21)18-8-11(20)19-9(2)3/h9-10,16H,4-8H2,1-3H3,(H,18,21)(H,19,20)(H4,14,15,17)
InChIKeyXWNHFDZWRNBSOG-UHFFFAOYSA-N
MW300.41 g/mol
LogP-1.34
Rot. Bonds10

About 5-(diaminomethylideneamino)-2-(ethylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide

5-(diaminomethylideneamino)-2-(ethylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide (PubChem CID 177369506) has the molecular formula C13H28N6O2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 5-(diaminomethylideneamino)-2-(ethylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide.

Molecular Properties

Compound Name5-(diaminomethylideneamino)-2-(ethylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
PubChem CID177369506
Molecular FormulaC13H28N6O2
Molecular Weight300.41 g/mol
Exact Mass300.23
IUPAC Name5-(diaminomethylideneamino)-2-(ethylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
SMILESCCNC(CCCN=C(N)N)C(=O)NCC(=O)NC(C)C
InChIInChI=1S/C13H28N6O2/c1-4-16-10(6-5-7-17-13(14)15)12(21)18-8-11(20)19-9(2)3/h9-10,16H,4-8H2,1-3H3,(H,18,21)(H,19,20)(H4,14,15,17)
InChIKeyXWNHFDZWRNBSOG-UHFFFAOYSA-N
XLogP-1.34
TPSA134.63 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 5-1.34
H-Bond Donors ≤ 55
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'}

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Related Compounds

2-acetamido-5-(diaminomethylideneamino)-N-[2-[5-(diaminomethylideneamino)pentan-2-ylamino]-2-oxoethyl]pentanamide
CID 134188384
(2S)-5-(diaminomethylideneamino)-N-ethyl-2-(propanoylamino)pentanamide
CID 170521872
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 18501143
2-[[2-[[2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]butanedioic acid
CID 90824975
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 22702985
(2R)-2-acetamido-6-(diaminomethylideneamino)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]hexanamide
CID 59958587
2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 18235659
(2S)-N-(2-amino-2-oxoethyl)-5-(diaminomethylideneamino)-2-methylpentanamide
CID 147410146
2-[[2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 18244632
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-hydroxypropanoic acid
CID 18501157
(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 25260313
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]butanedioic acid
CID 18501145

Frequently Asked Questions

What is the IUPAC name of 5-(diaminomethylideneamino)-2-(ethylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide?
The IUPAC name of 5-(diaminomethylideneamino)-2-(ethylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide (CID 177369506) is 5-(diaminomethylideneamino)-2-(ethylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide.
What is the SMILES notation for 5-(diaminomethylideneamino)-2-(ethylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide?
The canonical SMILES for 5-(diaminomethylideneamino)-2-(ethylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide is CCNC(CCCN=C(N)N)C(=O)NCC(=O)NC(C)C.
What is the InChIKey of 5-(diaminomethylideneamino)-2-(ethylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide?
The InChIKey is XWNHFDZWRNBSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N6O2/c1-4-16-10(6-5-7-17-13(14)15)12(21)18-8-11(20)19-9(2)3/h9-10,16H,4-8H2,1-3H3,(H,18,21)(H,19,20)(H4,14,15,17).
What are the key properties of 5-(diaminomethylideneamino)-2-(ethylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide?
5-(diaminomethylideneamino)-2-(ethylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide has a molecular weight of 300.41 g/mol, XLogP of -1.34, 10 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diaminomethylideneamino)-2-(ethylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide is sourced from PubChem (CID 177369506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).