4-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-N-methylbenzamide

C15H23N3O — CID 55141226

IUPAC4-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNCCN(C)C2CC2)cc1
InChIInChI=1S/C15H23N3O/c1-16-15(19)13-5-3-12(4-6-13)11-17-9-10-18(2)14-7-8-14/h3-6,14,17H,7-11H2,1-2H3,(H,16,19)
InChIKeyPCKYCMCUKPYMQI-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.23
Rot. Bonds7

About 4-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-N-methylbenzamide

4-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-N-methylbenzamide (PubChem CID 55141226) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-N-methylbenzamide
PubChem CID55141226
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNCCN(C)C2CC2)cc1
InChIInChI=1S/C15H23N3O/c1-16-15(19)13-5-3-12(4-6-13)11-17-9-10-18(2)14-7-8-14/h3-6,14,17H,7-11H2,1-2H3,(H,16,19)
InChIKeyPCKYCMCUKPYMQI-UHFFFAOYSA-N
XLogP1.23
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopropyl-N-[(4-ethylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62977559
4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]-N-methylbenzamide
CID 103640064
4-[(2-methoxyethylamino)methyl]-N-methylbenzamide
CID 60732716
4-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77027875
4-[[(4-ethylcyclohexyl)methylamino]methyl]-N-methylbenzamide
CID 60984984
4-[(heptylamino)methyl]-N-methylbenzamide
CID 43114052
N'-cyclopentyl-N-[[4-(dimethylamino)phenyl]methyl]-N'-methylethane-1,2-diamine
CID 63314701
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-N-methylbenzamide
CID 111114516
4-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]-N-methylbenzamide
CID 104923328
4-[[2-(cyclopenten-1-yl)ethylamino]methyl]-N-methylbenzamide
CID 103845360
N'-cyclopropyl-N'-methyl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine
CID 66408114
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-(ethylaminomethyl)benzenesulfonamide
CID 62980477

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-N-methylbenzamide (CID 55141226) is 4-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNCCN(C)C2CC2)cc1.
What is the InChIKey of 4-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-N-methylbenzamide?
The InChIKey is PCKYCMCUKPYMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-16-15(19)13-5-3-12(4-6-13)11-17-9-10-18(2)14-7-8-14/h3-6,14,17H,7-11H2,1-2H3,(H,16,19).
What are the key properties of 4-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-N-methylbenzamide?
4-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-N-methylbenzamide has a molecular weight of 261.37 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 55141226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).