N,N-dimethyl-4-[[2-(4-methylpiperazin-1-yl)propylamino]methyl]aniline

C17H30N4 — CID 18804074

IUPACN,N-dimethyl-4-[[2-(4-methylpiperazin-1-yl)propylamino]methyl]aniline
SMILESCC(CNCc1ccc(N(C)C)cc1)N1CCN(C)CC1
InChIInChI=1S/C17H30N4/c1-15(21-11-9-20(4)10-12-21)13-18-14-16-5-7-17(8-6-16)19(2)3/h5-8,15,18H,9-14H2,1-4H3
InChIKeyYZURDUCOBLVBSX-UHFFFAOYSA-N
MW290.46 g/mol
LogP1.48
Rot. Bonds6

About N,N-dimethyl-4-[[2-(4-methylpiperazin-1-yl)propylamino]methyl]aniline

N,N-dimethyl-4-[[2-(4-methylpiperazin-1-yl)propylamino]methyl]aniline (PubChem CID 18804074) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-(4-methylpiperazin-1-yl)propylamino]methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-(4-methylpiperazin-1-yl)propylamino]methyl]aniline
PubChem CID18804074
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC NameN,N-dimethyl-4-[[2-(4-methylpiperazin-1-yl)propylamino]methyl]aniline
SMILESCC(CNCc1ccc(N(C)C)cc1)N1CCN(C)CC1
InChIInChI=1S/C17H30N4/c1-15(21-11-9-20(4)10-12-21)13-18-14-16-5-7-17(8-6-16)19(2)3/h5-8,15,18H,9-14H2,1-4H3
InChIKeyYZURDUCOBLVBSX-UHFFFAOYSA-N
XLogP1.48
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899450
(2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine
CID 92753834
2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 60962171
N-[(4-methylphenyl)methyl]-2-(4-methylpiperidin-1-yl)propan-1-amine
CID 18804081
N-[(4-bromophenyl)methyl]-2-morpholin-4-ylpropan-1-amine
CID 135042570
2-(4-methyl-1,4-diazepan-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62558327
4-[[[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]methyl]benzonitrile
CID 94193713
4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline
CID 78912341
2-[4-[(2-piperidin-1-ylpropylamino)methyl]phenyl]acetic acid
CID 103246515
N-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899736
N-benzyl-2-(4-methylpiperidin-1-yl)propan-1-amine
CID 18804080
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-methylpropanamide
CID 7497230

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-(4-methylpiperazin-1-yl)propylamino]methyl]aniline?
The IUPAC name of N,N-dimethyl-4-[[2-(4-methylpiperazin-1-yl)propylamino]methyl]aniline (CID 18804074) is N,N-dimethyl-4-[[2-(4-methylpiperazin-1-yl)propylamino]methyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[[2-(4-methylpiperazin-1-yl)propylamino]methyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[[2-(4-methylpiperazin-1-yl)propylamino]methyl]aniline is CC(CNCc1ccc(N(C)C)cc1)N1CCN(C)CC1.
What is the InChIKey of N,N-dimethyl-4-[[2-(4-methylpiperazin-1-yl)propylamino]methyl]aniline?
The InChIKey is YZURDUCOBLVBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-15(21-11-9-20(4)10-12-21)13-18-14-16-5-7-17(8-6-16)19(2)3/h5-8,15,18H,9-14H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[[2-(4-methylpiperazin-1-yl)propylamino]methyl]aniline?
N,N-dimethyl-4-[[2-(4-methylpiperazin-1-yl)propylamino]methyl]aniline has a molecular weight of 290.46 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-(4-methylpiperazin-1-yl)propylamino]methyl]aniline is sourced from PubChem (CID 18804074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).