N-(3-carbamimidamidopropyl)-N-[3-(diaminomethylideneamino)propyl]-4,4-dimethylpentanamide

C15H33N7O — CID 176527557

IUPACN-(3-carbamimidamidopropyl)-N-[3-(diaminomethylideneamino)propyl]-4,4-dimethylpentanamide
SMILES[H]/N=C(\N)NCCCN(CCCN=C(N)N)C(=O)CCC(C)(C)C
InChIInChI=1S/C15H33N7O/c1-15(2,3)7-6-12(23)22(10-4-8-20-13(16)17)11-5-9-21-14(18)19/h4-11H2,1-3H3,(H4,16,17,20)(H4,18,19,21)
InChIKeyIUVPGQNSYKBVEC-UHFFFAOYSA-N
MW327.48 g/mol
LogP0.18
Rot. Bonds10

About N-(3-carbamimidamidopropyl)-N-[3-(diaminomethylideneamino)propyl]-4,4-dimethylpentanamide

N-(3-carbamimidamidopropyl)-N-[3-(diaminomethylideneamino)propyl]-4,4-dimethylpentanamide (PubChem CID 176527557) has the molecular formula C15H33N7O and a molecular weight of 327.48 g/mol. Its IUPAC name is N-(3-carbamimidamidopropyl)-N-[3-(diaminomethylideneamino)propyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(3-carbamimidamidopropyl)-N-[3-(diaminomethylideneamino)propyl]-4,4-dimethylpentanamide
PubChem CID176527557
Molecular FormulaC15H33N7O
Molecular Weight327.48 g/mol
Exact Mass327.27
IUPAC NameN-(3-carbamimidamidopropyl)-N-[3-(diaminomethylideneamino)propyl]-4,4-dimethylpentanamide
SMILES[H]/N=C(\N)NCCCN(CCCN=C(N)N)C(=O)CCC(C)(C)C
InChIInChI=1S/C15H33N7O/c1-15(2,3)7-6-12(23)22(10-4-8-20-13(16)17)11-5-9-21-14(18)19/h4-11H2,1-3H3,(H4,16,17,20)(H4,18,19,21)
InChIKeyIUVPGQNSYKBVEC-UHFFFAOYSA-N
XLogP0.18
TPSA146.61 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 50.18
H-Bond Donors ≤ 55
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

1-[12-(diaminomethylideneamino)dodecyl]guanidine;tetrahydrochloride
CID 176518301
1-[10-(diaminomethylideneamino)decyl]guanidine;hydron;dichloride
CID 176533607
1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid
CID 176530052
CID 176532250
CID 176532250
1-[3-[3-(diaminomethylideneamino)propyltetrasulfanyl]propyl]guanidine
CID 176524133
1-[8-[8-(diaminomethylideneamino)octoxy]octyl]guanidine
CID 176522885
N-[3-[3-(diaminomethylideneamino)propylamino]propyl]-N',N'-bis[3-(pentanoylamino)propyl]butanediamide
CID 11226685
N-[3-[3-(diaminomethylideneamino)propylamino]propyl]-N',N'-bis[3-(tetradecanoylamino)propyl]butanediamide
CID 11366343
N-[3-[3-(diaminomethylideneamino)propylamino]propyl]-N',N'-bis[3-(octanoylamino)propyl]butanediamide
CID 11354179
N-[3-[3-(diaminomethylideneamino)propylamino]propyl]-N',N'-bis[3-(undecanoylamino)propyl]butanediamide
CID 11456851
1-(8-carbamimidamidooctyl)-3-[8-[[N'-(cyclopropylmethyl)carbamimidoyl]amino]octyl]-1,3-bis[8-(diaminomethylideneamino)octyl]urea;2,2,2-trifluoroacetic acid
CID 176545449
1-[3-[2-[5-[2-[3-carbamimidamidopropyl-[3-(diaminomethylideneamino)propyl]amino]ethyl-[(Z)-non-3-enoxy]phosphoryl]oxypentoxy-[(Z)-non-3-enoxy]phosphoryl]ethyl-[3-(diaminomethylideneamino)propyl]amino]propyl]guanidine;hexahydrochloride
CID 176531973

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamimidamidopropyl)-N-[3-(diaminomethylideneamino)propyl]-4,4-dimethylpentanamide?
The IUPAC name of N-(3-carbamimidamidopropyl)-N-[3-(diaminomethylideneamino)propyl]-4,4-dimethylpentanamide (CID 176527557) is N-(3-carbamimidamidopropyl)-N-[3-(diaminomethylideneamino)propyl]-4,4-dimethylpentanamide.
What is the SMILES notation for N-(3-carbamimidamidopropyl)-N-[3-(diaminomethylideneamino)propyl]-4,4-dimethylpentanamide?
The canonical SMILES for N-(3-carbamimidamidopropyl)-N-[3-(diaminomethylideneamino)propyl]-4,4-dimethylpentanamide is [H]/N=C(\N)NCCCN(CCCN=C(N)N)C(=O)CCC(C)(C)C.
What is the InChIKey of N-(3-carbamimidamidopropyl)-N-[3-(diaminomethylideneamino)propyl]-4,4-dimethylpentanamide?
The InChIKey is IUVPGQNSYKBVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N7O/c1-15(2,3)7-6-12(23)22(10-4-8-20-13(16)17)11-5-9-21-14(18)19/h4-11H2,1-3H3,(H4,16,17,20)(H4,18,19,21).
What are the key properties of N-(3-carbamimidamidopropyl)-N-[3-(diaminomethylideneamino)propyl]-4,4-dimethylpentanamide?
N-(3-carbamimidamidopropyl)-N-[3-(diaminomethylideneamino)propyl]-4,4-dimethylpentanamide has a molecular weight of 327.48 g/mol, XLogP of 0.18, 10 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamimidamidopropyl)-N-[3-(diaminomethylideneamino)propyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 176527557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).