4-[2-[bis(2-methylpropyl)amino]ethoxy]benzenecarboximidamide

C17H29N3O — CID 61377522

IUPAC4-[2-[bis(2-methylpropyl)amino]ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCN(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C17H29N3O/c1-13(2)11-20(12-14(3)4)9-10-21-16-7-5-15(6-8-16)17(18)19/h5-8,13-14H,9-12H2,1-4H3,(H3,18,19)
InChIKeyDAAMGSQEOPRFDL-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.96
Rot. Bonds9

About 4-[2-[bis(2-methylpropyl)amino]ethoxy]benzenecarboximidamide

4-[2-[bis(2-methylpropyl)amino]ethoxy]benzenecarboximidamide (PubChem CID 61377522) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-[2-[bis(2-methylpropyl)amino]ethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[2-[bis(2-methylpropyl)amino]ethoxy]benzenecarboximidamide
PubChem CID61377522
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-[2-[bis(2-methylpropyl)amino]ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCN(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C17H29N3O/c1-13(2)11-20(12-14(3)4)9-10-21-16-7-5-15(6-8-16)17(18)19/h5-8,13-14H,9-12H2,1-4H3,(H3,18,19)
InChIKeyDAAMGSQEOPRFDL-UHFFFAOYSA-N
XLogP2.96
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
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

4-[2-[bis[2-(4-carbamimidoylphenoxy)ethyl]amino]ethoxy]benzenecarboximidamide
CID 139715205
4-[2-(dimethylamino)ethoxy]benzenecarboximidamide;hydrochloride
CID 82240588
4-[[bis(2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 61377517
4-butoxybenzenecarboximidamide
CID 3015454
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;platinum(2+);diiodide
CID 10056078
4-octoxybenzenecarboximidamide
CID 3302492
4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide
CID 143436452
N-[2-[acetyl-[3-(4-carbamimidoylphenoxy)propyl]amino]ethyl]-N-[3-(4-carbamimidoylphenoxy)propyl]acetamide
CID 10152289
4-[3-[benzyl-[3-(4-carbamimidoylphenoxy)propyl]amino]propoxy]benzenecarboximidamide
CID 127042273

Frequently Asked Questions

What is the IUPAC name of 4-[2-[bis(2-methylpropyl)amino]ethoxy]benzenecarboximidamide?
The IUPAC name of 4-[2-[bis(2-methylpropyl)amino]ethoxy]benzenecarboximidamide (CID 61377522) is 4-[2-[bis(2-methylpropyl)amino]ethoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[2-[bis(2-methylpropyl)amino]ethoxy]benzenecarboximidamide?
The canonical SMILES for 4-[2-[bis(2-methylpropyl)amino]ethoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCN(CC(C)C)CC(C)C)cc1.
What is the InChIKey of 4-[2-[bis(2-methylpropyl)amino]ethoxy]benzenecarboximidamide?
The InChIKey is DAAMGSQEOPRFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13(2)11-20(12-14(3)4)9-10-21-16-7-5-15(6-8-16)17(18)19/h5-8,13-14H,9-12H2,1-4H3,(H3,18,19).
What are the key properties of 4-[2-[bis(2-methylpropyl)amino]ethoxy]benzenecarboximidamide?
4-[2-[bis(2-methylpropyl)amino]ethoxy]benzenecarboximidamide has a molecular weight of 291.44 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[bis(2-methylpropyl)amino]ethoxy]benzenecarboximidamide is sourced from PubChem (CID 61377522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).