2,4-diamino-N,N'-bis(4-methylphenyl)butanimidamide

C18H24N4 — CID 71198711

IUPAC2,4-diamino-N,N'-bis(4-methylphenyl)butanimidamide
SMILESCc1ccc(/N=C(/Nc2ccc(C)cc2)C(N)CCN)cc1
InChIInChI=1S/C18H24N4/c1-13-3-7-15(8-4-13)21-18(17(20)11-12-19)22-16-9-5-14(2)6-10-16/h3-10,17H,11-12,19-20H2,1-2H3,(H,21,22)
InChIKeyCXHNRZQRQPXIPO-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.12
Rot. Bonds5

About 2,4-diamino-N,N'-bis(4-methylphenyl)butanimidamide

2,4-diamino-N,N'-bis(4-methylphenyl)butanimidamide (PubChem CID 71198711) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2,4-diamino-N,N'-bis(4-methylphenyl)butanimidamide.

Molecular Properties

Compound Name2,4-diamino-N,N'-bis(4-methylphenyl)butanimidamide
PubChem CID71198711
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name2,4-diamino-N,N'-bis(4-methylphenyl)butanimidamide
SMILESCc1ccc(/N=C(/Nc2ccc(C)cc2)C(N)CCN)cc1
InChIInChI=1S/C18H24N4/c1-13-3-7-15(8-4-13)21-18(17(20)11-12-19)22-16-9-5-14(2)6-10-16/h3-10,17H,11-12,19-20H2,1-2H3,(H,21,22)
InChIKeyCXHNRZQRQPXIPO-UHFFFAOYSA-N
XLogP3.12
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

Selenourea, N,N'-bis(4-methylphenyl)-
CID 6329260
[N'-(4-methylphenyl)carbamimidoyl] N-(4-methylphenyl)carbamodithioate
CID 87476674
1-(1-amino-4-methylpentan-3-yl)-3-(4-methylphenyl)urea
CID 106357297
1-N,2-N-bis(4-fluorophenyl)-1-N',2-N'-bis(4-methylphenyl)ethanediimidamide
CID 4105169
[N'-(4-methylphenyl)carbamimidoyl] N-(4-methylphenyl)carbamate
CID 68500642
2-(4-methylphenyl)-1-[4-[5-[4-[[N'-(4-methylphenyl)carbamimidoyl]amino]phenyl]thiophen-2-yl]phenyl]guanidine;dihydrochloride
CID 16655491
3-amino-N-(4-methylphenyl)propanamide;hydrochloride
CID 15558174
2-[4-[[N'-(4-methylphenyl)-N-phenylcarbamimidoyl]amino]phenyl]acetamide
CID 100967758
N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide
CID 3345579
1-diethoxyphosphoryl-N,N'-bis(4-methylphenyl)methanimidamide
CID 15001480
azane;2-(4-methylphenyl)guanidine
CID 172751004
2-(4-methylphenyl)guanidine;hydrochloride
CID 3028500

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N,N'-bis(4-methylphenyl)butanimidamide?
The IUPAC name of 2,4-diamino-N,N'-bis(4-methylphenyl)butanimidamide (CID 71198711) is 2,4-diamino-N,N'-bis(4-methylphenyl)butanimidamide.
What is the SMILES notation for 2,4-diamino-N,N'-bis(4-methylphenyl)butanimidamide?
The canonical SMILES for 2,4-diamino-N,N'-bis(4-methylphenyl)butanimidamide is Cc1ccc(/N=C(/Nc2ccc(C)cc2)C(N)CCN)cc1.
What is the InChIKey of 2,4-diamino-N,N'-bis(4-methylphenyl)butanimidamide?
The InChIKey is CXHNRZQRQPXIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-13-3-7-15(8-4-13)21-18(17(20)11-12-19)22-16-9-5-14(2)6-10-16/h3-10,17H,11-12,19-20H2,1-2H3,(H,21,22).
What are the key properties of 2,4-diamino-N,N'-bis(4-methylphenyl)butanimidamide?
2,4-diamino-N,N'-bis(4-methylphenyl)butanimidamide has a molecular weight of 296.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N,N'-bis(4-methylphenyl)butanimidamide is sourced from PubChem (CID 71198711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).