(2S)-2-amino-N-(1-aminobutyl)-5-(diaminomethylideneamino)-N-methylpentanamide

C11H26N6O — CID 175579254

IUPAC(2S)-2-amino-N-(1-aminobutyl)-5-(diaminomethylideneamino)-N-methylpentanamide
SMILESCCCC(N)N(C)C(=O)[C@@H](N)CCCN=C(N)N
InChIInChI=1S/C11H26N6O/c1-3-5-9(13)17(2)10(18)8(12)6-4-7-16-11(14)15/h8-9H,3-7,12-13H2,1-2H3,(H4,14,15,16)/t8-,9?/m0/s1
InChIKeyQJGNRXORIYRQIC-IENPIDJESA-N
MW258.37 g/mol
LogP-1.09
Rot. Bonds8

About (2S)-2-amino-N-(1-aminobutyl)-5-(diaminomethylideneamino)-N-methylpentanamide

(2S)-2-amino-N-(1-aminobutyl)-5-(diaminomethylideneamino)-N-methylpentanamide (PubChem CID 175579254) has the molecular formula C11H26N6O and a molecular weight of 258.37 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-aminobutyl)-5-(diaminomethylideneamino)-N-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-aminobutyl)-5-(diaminomethylideneamino)-N-methylpentanamide
PubChem CID175579254
Molecular FormulaC11H26N6O
Molecular Weight258.37 g/mol
Exact Mass258.22
IUPAC Name(2S)-2-amino-N-(1-aminobutyl)-5-(diaminomethylideneamino)-N-methylpentanamide
SMILESCCCC(N)N(C)C(=O)[C@@H](N)CCCN=C(N)N
InChIInChI=1S/C11H26N6O/c1-3-5-9(13)17(2)10(18)8(12)6-4-7-16-11(14)15/h8-9H,3-7,12-13H2,1-2H3,(H4,14,15,16)/t8-,9?/m0/s1
InChIKeyQJGNRXORIYRQIC-IENPIDJESA-N
XLogP-1.09
TPSA136.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2,6-diamino-N-(1-aminobutyl)-N-methylhexanamide
CID 175579249
2-amino-N-(1-aminobutyl)-4-hydroxy-N-methylbutanamide
CID 175579289
ethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 10130416
2-[(4R)-4-amino-6-methyl-5-oxononyl]guanidine
CID 129141783
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine
CID 87334568
ethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
CID 45073230
ethyl 2-amino-5-(diaminomethylideneamino)pentanoate;dihydrate
CID 175283381
(2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R)-2-aminohexanoic acid
CID 160879747
2-amino-5-(diaminomethylideneamino)pentanoic acid;ethanol;hydrochloride
CID 174671345
2-[(4R)-4-amino-6-ethyl-5-oxooctyl]guanidine
CID 146421997
(2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide
CID 22801050
2-amino-N-[2-amino-3-[hexadecyl(octadecyl)amino]-3-oxopropyl]-5-(diaminomethylideneamino)pentanamide
CID 123539871

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-aminobutyl)-5-(diaminomethylideneamino)-N-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(1-aminobutyl)-5-(diaminomethylideneamino)-N-methylpentanamide (CID 175579254) is (2S)-2-amino-N-(1-aminobutyl)-5-(diaminomethylideneamino)-N-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-aminobutyl)-5-(diaminomethylideneamino)-N-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(1-aminobutyl)-5-(diaminomethylideneamino)-N-methylpentanamide is CCCC(N)N(C)C(=O)[C@@H](N)CCCN=C(N)N.
What is the InChIKey of (2S)-2-amino-N-(1-aminobutyl)-5-(diaminomethylideneamino)-N-methylpentanamide?
The InChIKey is QJGNRXORIYRQIC-IENPIDJESA-N. The full InChI is InChI=1S/C11H26N6O/c1-3-5-9(13)17(2)10(18)8(12)6-4-7-16-11(14)15/h8-9H,3-7,12-13H2,1-2H3,(H4,14,15,16)/t8-,9?/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-aminobutyl)-5-(diaminomethylideneamino)-N-methylpentanamide?
(2S)-2-amino-N-(1-aminobutyl)-5-(diaminomethylideneamino)-N-methylpentanamide has a molecular weight of 258.37 g/mol, XLogP of -1.09, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-aminobutyl)-5-(diaminomethylideneamino)-N-methylpentanamide is sourced from PubChem (CID 175579254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).