3-chloro-4-[2-(dimethylamino)ethyl-propylamino]benzenecarboximidamide

C14H23ClN4 — CID 63087227

IUPAC3-chloro-4-[2-(dimethylamino)ethyl-propylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CCC)CCN(C)C)c(Cl)c1
InChIInChI=1S/C14H23ClN4/c1-4-7-19(9-8-18(2)3)13-6-5-11(14(16)17)10-12(13)15/h5-6,10H,4,7-9H2,1-3H3,(H3,16,17)
InChIKeyHCZCYGVIXKUDJU-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.40
Rot. Bonds7

About 3-chloro-4-[2-(dimethylamino)ethyl-propylamino]benzenecarboximidamide

3-chloro-4-[2-(dimethylamino)ethyl-propylamino]benzenecarboximidamide (PubChem CID 63087227) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is 3-chloro-4-[2-(dimethylamino)ethyl-propylamino]benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-[2-(dimethylamino)ethyl-propylamino]benzenecarboximidamide
PubChem CID63087227
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name3-chloro-4-[2-(dimethylamino)ethyl-propylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CCC)CCN(C)C)c(Cl)c1
InChIInChI=1S/C14H23ClN4/c1-4-7-19(9-8-18(2)3)13-6-5-11(14(16)17)10-12(13)15/h5-6,10H,4,7-9H2,1-3H3,(H3,16,17)
InChIKeyHCZCYGVIXKUDJU-UHFFFAOYSA-N
XLogP2.40
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.40
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

3-chloro-4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63692984
3-chloro-4-[2-(dimethylamino)ethyl-propylamino]benzoic acid
CID 63088812
3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]benzenecarboximidamide
CID 103189206
3-chloro-4-[cyclopropylmethyl(methyl)amino]benzenecarboximidamide
CID 63088227
(1R)-1-[3-chloro-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanol
CID 78940818
3-chloro-4-[2-(2-hydroxyethoxy)ethyl-methylamino]benzenecarboximidamide
CID 114243127
2-[2-(dimethylamino)ethyl-propylamino]-4-methoxybenzenecarboximidamide
CID 81302616
3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
CID 63087220
4-[[butyl(methyl)amino]methyl]-3-chlorobenzenecarboximidamide
CID 102667717
3-chloro-4-[2-(dimethylamino)ethyl-propylamino]benzonitrile
CID 63087550
3-chloro-4-[[ethyl(methyl)amino]methyl]benzenecarboximidamide
CID 102667744
4-[butyl(2-hydroxyethyl)amino]-3-methylbenzenecarboximidamide
CID 61446127

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[2-(dimethylamino)ethyl-propylamino]benzenecarboximidamide?
The IUPAC name of 3-chloro-4-[2-(dimethylamino)ethyl-propylamino]benzenecarboximidamide (CID 63087227) is 3-chloro-4-[2-(dimethylamino)ethyl-propylamino]benzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-[2-(dimethylamino)ethyl-propylamino]benzenecarboximidamide?
The canonical SMILES for 3-chloro-4-[2-(dimethylamino)ethyl-propylamino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(CCC)CCN(C)C)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[2-(dimethylamino)ethyl-propylamino]benzenecarboximidamide?
The InChIKey is HCZCYGVIXKUDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-4-7-19(9-8-18(2)3)13-6-5-11(14(16)17)10-12(13)15/h5-6,10H,4,7-9H2,1-3H3,(H3,16,17).
What are the key properties of 3-chloro-4-[2-(dimethylamino)ethyl-propylamino]benzenecarboximidamide?
3-chloro-4-[2-(dimethylamino)ethyl-propylamino]benzenecarboximidamide has a molecular weight of 282.82 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[2-(dimethylamino)ethyl-propylamino]benzenecarboximidamide is sourced from PubChem (CID 63087227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).