N,N'-bis(4-carbamimidoylphenyl)pentanediamide;dihydrochloride

C19H24Cl2N6O2 — CID 15954191

IUPACN,N'-bis(4-carbamimidoylphenyl)pentanediamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1ccc(NC(=O)CCCC(=O)Nc2ccc(/C(N)=N/[H])cc2)cc1
InChIInChI=1S/C19H22N6O2.2ClH/c20-18(21)12-4-8-14(9-5-12)24-16(26)2-1-3-17(27)25-15-10-6-13(7-11-15)19(22)23;;/h4-11H,1-3H2,(H3,20,21)(H3,22,23)(H,24,26)(H,25,27);2*1H
InChIKeyXLHRAUMVCPKEEP-UHFFFAOYSA-N
MW439.35 g/mol
LogP2.85
Rot. Bonds8

About N,N'-bis(4-carbamimidoylphenyl)pentanediamide;dihydrochloride

N,N'-bis(4-carbamimidoylphenyl)pentanediamide;dihydrochloride (PubChem CID 15954191) has the molecular formula C19H24Cl2N6O2 and a molecular weight of 439.35 g/mol. Its IUPAC name is N,N'-bis(4-carbamimidoylphenyl)pentanediamide;dihydrochloride.

Molecular Properties

Compound NameN,N'-bis(4-carbamimidoylphenyl)pentanediamide;dihydrochloride
PubChem CID15954191
Molecular FormulaC19H24Cl2N6O2
Molecular Weight439.35 g/mol
Exact Mass438.13
IUPAC NameN,N'-bis(4-carbamimidoylphenyl)pentanediamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1ccc(NC(=O)CCCC(=O)Nc2ccc(/C(N)=N/[H])cc2)cc1
InChIInChI=1S/C19H22N6O2.2ClH/c20-18(21)12-4-8-14(9-5-12)24-16(26)2-1-3-17(27)25-15-10-6-13(7-11-15)19(22)23;;/h4-11H,1-3H2,(H3,20,21)(H3,22,23)(H,24,26)(H,25,27);2*1H
InChIKeyXLHRAUMVCPKEEP-UHFFFAOYSA-N
XLogP2.85
TPSA157.94 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.35
LogP ≤ 52.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(4-carbamimidoylphenyl)dodecanediamide
CID 46883527
N'-(4-carbamimidoylphenyl)propanediamide
CID 142702544
N-(4-carbamimidoylphenyl)acetamide;hydrochloride
CID 171776366
N,N'-bis[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanediamide
CID 59542856
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-N'-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanediamide
CID 46945588
2-[4-[4-(4-carbamimidoylanilino)-4-oxobutyl]-2,3-dioxopiperazin-1-yl]acetic acid
CID 22122237
3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-3-cyanopropanoic acid
CID 54330319
1-(4-carbamimidoylphenyl)-3-(4-chlorophenyl)urea
CID 2014
4-[2-(4-carbamimidoylanilino)ethylamino]benzenecarboximidamide;dihydrochloride
CID 46837859
4-(4-hydroxybutanoylamino)benzamide
CID 79203349
3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-3-(3,5-difluorophenyl)propanoic acid
CID 57064726
2-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-2-(4-hydroxyphenyl)butanoic acid
CID 70261870

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-carbamimidoylphenyl)pentanediamide;dihydrochloride?
The IUPAC name of N,N'-bis(4-carbamimidoylphenyl)pentanediamide;dihydrochloride (CID 15954191) is N,N'-bis(4-carbamimidoylphenyl)pentanediamide;dihydrochloride.
What is the SMILES notation for N,N'-bis(4-carbamimidoylphenyl)pentanediamide;dihydrochloride?
The canonical SMILES for N,N'-bis(4-carbamimidoylphenyl)pentanediamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)c1ccc(NC(=O)CCCC(=O)Nc2ccc(/C(N)=N/[H])cc2)cc1.
What is the InChIKey of N,N'-bis(4-carbamimidoylphenyl)pentanediamide;dihydrochloride?
The InChIKey is XLHRAUMVCPKEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2.2ClH/c20-18(21)12-4-8-14(9-5-12)24-16(26)2-1-3-17(27)25-15-10-6-13(7-11-15)19(22)23;;/h4-11H,1-3H2,(H3,20,21)(H3,22,23)(H,24,26)(H,25,27);2*1H.
What are the key properties of N,N'-bis(4-carbamimidoylphenyl)pentanediamide;dihydrochloride?
N,N'-bis(4-carbamimidoylphenyl)pentanediamide;dihydrochloride has a molecular weight of 439.35 g/mol, XLogP of 2.85, 8 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-carbamimidoylphenyl)pentanediamide;dihydrochloride is sourced from PubChem (CID 15954191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).