5-(diaminomethylideneamino)-2-(methylamino)pentanamide

C7H17N5O — CID 58899050

IUPAC5-(diaminomethylideneamino)-2-(methylamino)pentanamide
SMILESCNC(CCCN=C(N)N)C(N)=O
InChIInChI=1S/C7H17N5O/c1-11-5(6(8)13)3-2-4-12-7(9)10/h5,11H,2-4H2,1H3,(H2,8,13)(H4,9,10,12)
InChIKeyFPJCONPBOGIIEG-UHFFFAOYSA-N
MW187.25 g/mol
LogP-1.89
Rot. Bonds6

About 5-(diaminomethylideneamino)-2-(methylamino)pentanamide

5-(diaminomethylideneamino)-2-(methylamino)pentanamide (PubChem CID 58899050) has the molecular formula C7H17N5O and a molecular weight of 187.25 g/mol. Its IUPAC name is 5-(diaminomethylideneamino)-2-(methylamino)pentanamide.

Molecular Properties

Compound Name5-(diaminomethylideneamino)-2-(methylamino)pentanamide
PubChem CID58899050
Molecular FormulaC7H17N5O
Molecular Weight187.25 g/mol
Exact Mass187.14
IUPAC Name5-(diaminomethylideneamino)-2-(methylamino)pentanamide
SMILESCNC(CCCN=C(N)N)C(N)=O
InChIInChI=1S/C7H17N5O/c1-11-5(6(8)13)3-2-4-12-7(9)10/h5,11H,2-4H2,1H3,(H2,8,13)(H4,9,10,12)
InChIKeyFPJCONPBOGIIEG-UHFFFAOYSA-N
XLogP-1.89
TPSA119.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 5-1.89
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

2-[(4R)-4-(methylamino)-5-oxohexyl]guanidine
CID 59966003
(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid
CID 161367274
ethane;2-[4-(methylamino)-5-oxohexyl]guanidine
CID 145328889
5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;hydrochloride
CID 23193375
2-[16-(methylamino)-17-oxooctadecyl]guanidine
CID 149014155
(2R)-2-[[(2R)-5-(diaminomethylideneamino)-2-(methylamino)pentanoyl]amino]-4-methylpentanamide
CID 174197575
(2S)-5-(diaminomethylideneamino)-2-(propan-2-ylamino)pentanoic acid
CID 59709383
2,5-bis(methylamino)hexanediamide
CID 66221520
(2S)-2-[2-[amino(azanyl)methylidene]hydrazinyl]-5-(diaminomethylideneamino)pentanoic acid
CID 54407523
(2S)-5-(diaminomethylideneamino)-2-[5-(diaminomethylideneamino)pentanoylamino]pentanamide
CID 58616882
(2S)-5-(diaminomethylideneamino)-2-[[(2R)-3-methyl-2-(methylamino)butanoyl]amino]pentanoic acid
CID 175801756
(2S)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 122517059

Frequently Asked Questions

What is the IUPAC name of 5-(diaminomethylideneamino)-2-(methylamino)pentanamide?
The IUPAC name of 5-(diaminomethylideneamino)-2-(methylamino)pentanamide (CID 58899050) is 5-(diaminomethylideneamino)-2-(methylamino)pentanamide.
What is the SMILES notation for 5-(diaminomethylideneamino)-2-(methylamino)pentanamide?
The canonical SMILES for 5-(diaminomethylideneamino)-2-(methylamino)pentanamide is CNC(CCCN=C(N)N)C(N)=O.
What is the InChIKey of 5-(diaminomethylideneamino)-2-(methylamino)pentanamide?
The InChIKey is FPJCONPBOGIIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5O/c1-11-5(6(8)13)3-2-4-12-7(9)10/h5,11H,2-4H2,1H3,(H2,8,13)(H4,9,10,12).
What are the key properties of 5-(diaminomethylideneamino)-2-(methylamino)pentanamide?
5-(diaminomethylideneamino)-2-(methylamino)pentanamide has a molecular weight of 187.25 g/mol, XLogP of -1.89, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diaminomethylideneamino)-2-(methylamino)pentanamide is sourced from PubChem (CID 58899050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).