N-methyl-3-[methylamino-(1-methylpyrrolidin-3-yl)methyl]aniline

C14H23N3 — CID 116951993

IUPACN-methyl-3-[methylamino-(1-methylpyrrolidin-3-yl)methyl]aniline
SMILESCNc1cccc(C(NC)C2CCN(C)C2)c1
InChIInChI=1S/C14H23N3/c1-15-13-6-4-5-11(9-13)14(16-2)12-7-8-17(3)10-12/h4-6,9,12,14-16H,7-8,10H2,1-3H3
InChIKeyWYPYLOKTRZGUNC-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.94
Rot. Bonds4

About N-methyl-3-[methylamino-(1-methylpyrrolidin-3-yl)methyl]aniline

N-methyl-3-[methylamino-(1-methylpyrrolidin-3-yl)methyl]aniline (PubChem CID 116951993) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-methyl-3-[methylamino-(1-methylpyrrolidin-3-yl)methyl]aniline.

Molecular Properties

Compound NameN-methyl-3-[methylamino-(1-methylpyrrolidin-3-yl)methyl]aniline
PubChem CID116951993
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-methyl-3-[methylamino-(1-methylpyrrolidin-3-yl)methyl]aniline
SMILESCNc1cccc(C(NC)C2CCN(C)C2)c1
InChIInChI=1S/C14H23N3/c1-15-13-6-4-5-11(9-13)14(16-2)12-7-8-17(3)10-12/h4-6,9,12,14-16H,7-8,10H2,1-3H3
InChIKeyWYPYLOKTRZGUNC-UHFFFAOYSA-N
XLogP1.94
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methylamino-(1-methylpiperidin-3-yl)methyl]phenol
CID 105495145
1-[4-(aminomethyl)phenyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine
CID 116952260
4-[amino-(1-methylpyrrolidin-3-yl)methyl]-N-methylaniline
CID 116936927
N-methyl-3-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]aniline
CID 116871192
1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 64774200
N-methyl-3-[1-(methylamino)propyl]aniline
CID 116951935
N-methyl-3-[(1-methylpiperidin-3-yl)methyl]aniline
CID 116925958
1-(3-fluorophenyl)-N-methyl-1-(4-methylmorpholin-2-yl)methanamine
CID 79093150
N-[3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
CID 43206478
2-(3-methylphenyl)-2-(1-methylpyrrolidin-3-yl)acetaldehyde
CID 105471543
1-cycloheptyl-N-methyl-1-(3-methylphenyl)methanamine
CID 65399402
1-cyclohexyl-N-methyl-1-(3-methylphenyl)methanamine
CID 60818000

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[methylamino-(1-methylpyrrolidin-3-yl)methyl]aniline?
The IUPAC name of N-methyl-3-[methylamino-(1-methylpyrrolidin-3-yl)methyl]aniline (CID 116951993) is N-methyl-3-[methylamino-(1-methylpyrrolidin-3-yl)methyl]aniline.
What is the SMILES notation for N-methyl-3-[methylamino-(1-methylpyrrolidin-3-yl)methyl]aniline?
The canonical SMILES for N-methyl-3-[methylamino-(1-methylpyrrolidin-3-yl)methyl]aniline is CNc1cccc(C(NC)C2CCN(C)C2)c1.
What is the InChIKey of N-methyl-3-[methylamino-(1-methylpyrrolidin-3-yl)methyl]aniline?
The InChIKey is WYPYLOKTRZGUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-15-13-6-4-5-11(9-13)14(16-2)12-7-8-17(3)10-12/h4-6,9,12,14-16H,7-8,10H2,1-3H3.
What are the key properties of N-methyl-3-[methylamino-(1-methylpyrrolidin-3-yl)methyl]aniline?
N-methyl-3-[methylamino-(1-methylpyrrolidin-3-yl)methyl]aniline has a molecular weight of 233.36 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[methylamino-(1-methylpyrrolidin-3-yl)methyl]aniline is sourced from PubChem (CID 116951993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).