2-[2-(dimethylamino)ethyl-propylamino]-4-methoxybenzenecarboximidamide

C15H26N4O — CID 81302616

IUPAC2-[2-(dimethylamino)ethyl-propylamino]-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N(CCC)CCN(C)C
InChIInChI=1S/C15H26N4O/c1-5-8-19(10-9-18(2)3)14-11-12(20-4)6-7-13(14)15(16)17/h6-7,11H,5,8-10H2,1-4H3,(H3,16,17)
InChIKeyWHUKZVDIOPEEQS-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.76
Rot. Bonds8

About 2-[2-(dimethylamino)ethyl-propylamino]-4-methoxybenzenecarboximidamide

2-[2-(dimethylamino)ethyl-propylamino]-4-methoxybenzenecarboximidamide (PubChem CID 81302616) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-propylamino]-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-propylamino]-4-methoxybenzenecarboximidamide
PubChem CID81302616
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[2-(dimethylamino)ethyl-propylamino]-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N(CCC)CCN(C)C
InChIInChI=1S/C15H26N4O/c1-5-8-19(10-9-18(2)3)14-11-12(20-4)6-7-13(14)15(16)17/h6-7,11H,5,8-10H2,1-4H3,(H3,16,17)
InChIKeyWHUKZVDIOPEEQS-UHFFFAOYSA-N
XLogP1.76
TPSA65.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(dimethylamino)ethyl-propylamino]-4-methoxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(dimethylamino)ethyl-methylamino]-4-methoxybenzenecarboximidamide
CID 81303220
2-[butyl(methyl)amino]-4-methoxybenzenecarboximidamide
CID 81303854
2-[2-ethoxyethyl(methyl)amino]-4-methoxybenzenecarboximidamide
CID 81303694
4-methoxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide
CID 81303776
2-(dipropylamino)benzenecarboximidamide
CID 28601050
4-methoxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 81299445
3-chloro-4-[2-(dimethylamino)ethyl-propylamino]benzenecarboximidamide
CID 63087227
2-[(3-hydroxycyclobutyl)methyl-methylamino]-4-methoxybenzenecarboximidamide
CID 81302452
2-(2-carbamothioyl-5-methoxy-N-propylanilino)-N,N-dimethylacetamide
CID 81298153
2-butoxy-4-methoxybenzenecarboximidamide
CID 81302951
4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride
CID 21250754
4-methoxy-2-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
CID 81300119

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-propylamino]-4-methoxybenzenecarboximidamide?
The IUPAC name of 2-[2-(dimethylamino)ethyl-propylamino]-4-methoxybenzenecarboximidamide (CID 81302616) is 2-[2-(dimethylamino)ethyl-propylamino]-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-propylamino]-4-methoxybenzenecarboximidamide?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-propylamino]-4-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1N(CCC)CCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-propylamino]-4-methoxybenzenecarboximidamide?
The InChIKey is WHUKZVDIOPEEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-8-19(10-9-18(2)3)14-11-12(20-4)6-7-13(14)15(16)17/h6-7,11H,5,8-10H2,1-4H3,(H3,16,17).
What are the key properties of 2-[2-(dimethylamino)ethyl-propylamino]-4-methoxybenzenecarboximidamide?
2-[2-(dimethylamino)ethyl-propylamino]-4-methoxybenzenecarboximidamide has a molecular weight of 278.40 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-propylamino]-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 81302616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).