N-(3-aminopropyl)-5-(diaminomethylideneamino)-2-iodopentanamide

C9H20IN5O — CID 146429799

IUPACN-(3-aminopropyl)-5-(diaminomethylideneamino)-2-iodopentanamide
SMILESNCCCNC(=O)C(I)CCCN=C(N)N
InChIInChI=1S/C9H20IN5O/c10-7(3-1-5-15-9(12)13)8(16)14-6-2-4-11/h7H,1-6,11H2,(H,14,16)(H4,12,13,15)
InChIKeyXEBFXANGUMWKRC-UHFFFAOYSA-N
MW341.20 g/mol
LogP-0.69
Rot. Bonds8

About N-(3-aminopropyl)-5-(diaminomethylideneamino)-2-iodopentanamide

N-(3-aminopropyl)-5-(diaminomethylideneamino)-2-iodopentanamide (PubChem CID 146429799) has the molecular formula C9H20IN5O and a molecular weight of 341.20 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-(diaminomethylideneamino)-2-iodopentanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-(diaminomethylideneamino)-2-iodopentanamide
PubChem CID146429799
Molecular FormulaC9H20IN5O
Molecular Weight341.20 g/mol
Exact Mass341.07
IUPAC NameN-(3-aminopropyl)-5-(diaminomethylideneamino)-2-iodopentanamide
SMILESNCCCNC(=O)C(I)CCCN=C(N)N
InChIInChI=1S/C9H20IN5O/c10-7(3-1-5-15-9(12)13)8(16)14-6-2-4-11/h7H,1-6,11H2,(H,14,16)(H4,12,13,15)
InChIKeyXEBFXANGUMWKRC-UHFFFAOYSA-N
XLogP-0.69
TPSA119.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[4-(3-aminopropylamino)butyl]-5-(diaminomethylideneamino)pentanamide
CID 10881162
(2S)-2-amino-N-butyl-5-(diaminomethylideneamino)pentanamide
CID 22801050
(2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-[5-(diaminomethylideneamino)pentylamino]-1-oxohexan-2-yl]hexanamide
CID 53329971
acetic acid;2-amino-N-[10-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]decyl]-5-(diaminomethylideneamino)pentanamide
CID 54604077
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2,5-diaminopentanoic acid
CID 122669620
N-[3-(diaminomethylideneamino)propyl]-2-methylbutanamide
CID 59360329
2-amino-5-(diaminomethylideneamino)pentanoic acid;N'-(3-aminopropyl)butane-1,4-diamine;N,N'-bis(3-aminopropyl)butane-1,4-diamine;butane-1,4-diamine
CID 173317858
N-(8-aminooctyl)-10-(diaminomethylideneamino)-2-hydroxy-4-oxodecanamide
CID 159753811
(2S)-2-amino-6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanamide
CID 141439784
(2S)-2-amino-4-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanoic acid
CID 87289489
N-[3-[4-(3-aminopropylamino)butylamino]-2-hydroxy-3-oxopropyl]-7-(diaminomethylideneamino)heptanamide
CID 14801245
(Z)-N'-[4-(3-aminopropylamino)butyl]-N-[6-(diaminomethylideneamino)hexyl]but-2-enediamide
CID 10667690

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-(diaminomethylideneamino)-2-iodopentanamide?
The IUPAC name of N-(3-aminopropyl)-5-(diaminomethylideneamino)-2-iodopentanamide (CID 146429799) is N-(3-aminopropyl)-5-(diaminomethylideneamino)-2-iodopentanamide.
What is the SMILES notation for N-(3-aminopropyl)-5-(diaminomethylideneamino)-2-iodopentanamide?
The canonical SMILES for N-(3-aminopropyl)-5-(diaminomethylideneamino)-2-iodopentanamide is NCCCNC(=O)C(I)CCCN=C(N)N.
What is the InChIKey of N-(3-aminopropyl)-5-(diaminomethylideneamino)-2-iodopentanamide?
The InChIKey is XEBFXANGUMWKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20IN5O/c10-7(3-1-5-15-9(12)13)8(16)14-6-2-4-11/h7H,1-6,11H2,(H,14,16)(H4,12,13,15).
What are the key properties of N-(3-aminopropyl)-5-(diaminomethylideneamino)-2-iodopentanamide?
N-(3-aminopropyl)-5-(diaminomethylideneamino)-2-iodopentanamide has a molecular weight of 341.20 g/mol, XLogP of -0.69, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-(diaminomethylideneamino)-2-iodopentanamide is sourced from PubChem (CID 146429799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).