4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline

C18H29N3 — CID 79310746

IUPAC4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCc1cc(N(C)CC2CCCN2C)ccc1CNC1CC1
InChIInChI=1S/C18H29N3/c1-14-11-17(9-6-15(14)12-19-16-7-8-16)21(3)13-18-5-4-10-20(18)2/h6,9,11,16,18-19H,4-5,7-8,10,12-13H2,1-3H3
InChIKeyMXTIFDVUTDWMIA-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.78
Rot. Bonds6

About 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline

4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline (PubChem CID 79310746) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
PubChem CID79310746
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCc1cc(N(C)CC2CCCN2C)ccc1CNC1CC1
InChIInChI=1S/C18H29N3/c1-14-11-17(9-6-15(14)12-19-16-7-8-16)21(3)13-18-5-4-10-20(18)2/h6,9,11,16,18-19H,4-5,7-8,10,12-13H2,1-3H3
InChIKeyMXTIFDVUTDWMIA-UHFFFAOYSA-N
XLogP2.78
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79310755
4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethylaniline
CID 62136200
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline
CID 79319429
4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-methylpropyl)aniline
CID 62134168
4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(3-methylbutyl)aniline
CID 62135574
N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-N,3-dimethylanilino]acetamide
CID 62129290
2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine
CID 102824295
N-[4-[(cyclopropylamino)methyl]-3-methylphenyl]-N-methylthiolan-3-amine
CID 55038774
4-[(cyclopropylamino)methyl]-N-(1-methoxypropan-2-yl)-N,3-dimethylaniline
CID 62135055
2-amino-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide
CID 79313258
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)aniline
CID 175854724
N,2-dimethyl-4-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 79319732

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline (CID 79310746) is 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline is Cc1cc(N(C)CC2CCCN2C)ccc1CNC1CC1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The InChIKey is MXTIFDVUTDWMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-14-11-17(9-6-15(14)12-19-16-7-8-16)21(3)13-18-5-4-10-20(18)2/h6,9,11,16,18-19H,4-5,7-8,10,12-13H2,1-3H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline has a molecular weight of 287.45 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline is sourced from PubChem (CID 79310746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).