3-[3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propyl]aniline

C16H27N3 — CID 115342117

IUPAC3-[3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propyl]aniline
SMILESCN(CCCc1cccc(N)c1)CC1CCN(C)C1
InChIInChI=1S/C16H27N3/c1-18(12-15-8-10-19(2)13-15)9-4-6-14-5-3-7-16(17)11-14/h3,5,7,11,15H,4,6,8-10,12-13,17H2,1-2H3
InChIKeyLTFAIVCLVLPYNA-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.08
Rot. Bonds6

About 3-[3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propyl]aniline

3-[3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propyl]aniline (PubChem CID 115342117) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propyl]aniline.

Molecular Properties

Compound Name3-[3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propyl]aniline
PubChem CID115342117
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3-[3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propyl]aniline
SMILESCN(CCCc1cccc(N)c1)CC1CCN(C)C1
InChIInChI=1S/C16H27N3/c1-18(12-15-8-10-19(2)13-15)9-4-6-14-5-3-7-16(17)11-14/h3,5,7,11,15H,4,6,8-10,12-13,17H2,1-2H3
InChIKeyLTFAIVCLVLPYNA-UHFFFAOYSA-N
XLogP2.08
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propyl]aniline
CID 115342113
3-[2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethyl]aniline
CID 65347709
3-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]aniline
CID 65347613
3-(3-aminophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 63234884
2-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]ethanamine
CID 124753174
3-[3-(4-ethylpiperidin-1-yl)propyl]aniline
CID 113290630
N-(cyclopropylmethyl)-N-methyl-3-phenylpropan-1-amine
CID 54365066
3-[3-(4-methylpiperidin-1-yl)propyl]aniline
CID 28721152
3-[3-(4-methyl-1,4-diazepan-1-yl)propyl]aniline
CID 115341733
3-[3-[methyl-(4-methylcyclohexyl)amino]propyl]aniline
CID 115341883
3-[3-[2-methoxyethyl(methyl)amino]propyl]aniline
CID 115341872
3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63274032

Frequently Asked Questions

What is the IUPAC name of 3-[3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propyl]aniline?
The IUPAC name of 3-[3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propyl]aniline (CID 115342117) is 3-[3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propyl]aniline.
What is the SMILES notation for 3-[3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propyl]aniline?
The canonical SMILES for 3-[3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propyl]aniline is CN(CCCc1cccc(N)c1)CC1CCN(C)C1.
What is the InChIKey of 3-[3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propyl]aniline?
The InChIKey is LTFAIVCLVLPYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-18(12-15-8-10-19(2)13-15)9-4-6-14-5-3-7-16(17)11-14/h3,5,7,11,15H,4,6,8-10,12-13,17H2,1-2H3.
What are the key properties of 3-[3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propyl]aniline?
3-[3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propyl]aniline has a molecular weight of 261.41 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propyl]aniline is sourced from PubChem (CID 115342117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).