2-(dipropylamino)benzenecarboximidamide

C13H21N3 — CID 28601050

IUPAC2-(dipropylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N(CCC)CCC
InChIInChI=1S/C13H21N3/c1-3-9-16(10-4-2)12-8-6-5-7-11(12)13(14)15/h5-8H,3-4,9-10H2,1-2H3,(H3,14,15)
InChIKeyMZEHPDTXBATRNK-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.60
Rot. Bonds6

About 2-(dipropylamino)benzenecarboximidamide

2-(dipropylamino)benzenecarboximidamide (PubChem CID 28601050) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(dipropylamino)benzenecarboximidamide.

Molecular Properties

Compound Name2-(dipropylamino)benzenecarboximidamide
PubChem CID28601050
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-(dipropylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N(CCC)CCC
InChIInChI=1S/C13H21N3/c1-3-9-16(10-4-2)12-8-6-5-7-11(12)13(14)15/h5-8H,3-4,9-10H2,1-2H3,(H3,14,15)
InChIKeyMZEHPDTXBATRNK-UHFFFAOYSA-N
XLogP2.60
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-(dipropylamino)-5-(trifluoromethyl)benzenecarboximidamide
CID 43153708
2-[methyl(pentan-2-yl)amino]benzenecarboximidamide
CID 43572161
2-[2-(dimethylamino)ethyl-propylamino]-4-methoxybenzenecarboximidamide
CID 81302616
2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63694371
3-[(dipropylamino)methyl]-2-fluorobenzenecarboximidamide
CID 107117720
5-bromo-2-(dibutylamino)benzenecarboximidamide
CID 114892850
2-chloro-6-[2-hydroxyethyl(propyl)amino]benzenecarboximidamide
CID 62496817
2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide
CID 62334639
2-[ethyl(propyl)amino]-N'-hydroxybenzenecarboximidamide
CID 43268814
4-chloro-2-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide
CID 63092670
2-[methyl(4-methylpentyl)amino]benzenecarboximidamide
CID 83157429
3-[cyclopropylmethyl(propyl)amino]pyridazine-4-carboximidamide
CID 80513562

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)benzenecarboximidamide?
The IUPAC name of 2-(dipropylamino)benzenecarboximidamide (CID 28601050) is 2-(dipropylamino)benzenecarboximidamide.
What is the SMILES notation for 2-(dipropylamino)benzenecarboximidamide?
The canonical SMILES for 2-(dipropylamino)benzenecarboximidamide is [H]/N=C(\N)c1ccccc1N(CCC)CCC.
What is the InChIKey of 2-(dipropylamino)benzenecarboximidamide?
The InChIKey is MZEHPDTXBATRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-9-16(10-4-2)12-8-6-5-7-11(12)13(14)15/h5-8H,3-4,9-10H2,1-2H3,(H3,14,15).
What are the key properties of 2-(dipropylamino)benzenecarboximidamide?
2-(dipropylamino)benzenecarboximidamide has a molecular weight of 219.33 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)benzenecarboximidamide is sourced from PubChem (CID 28601050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).