N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine

C18H31N3 — CID 63619611

IUPACN-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc(CN2CCN(C)C(C)C2)c1
InChIInChI=1S/C18H31N3/c1-15(2)11-19-12-17-6-5-7-18(10-17)14-21-9-8-20(4)16(3)13-21/h5-7,10,15-16,19H,8-9,11-14H2,1-4H3
InChIKeyUKNYTZWTHBWJCG-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.57
Rot. Bonds6

About N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine

N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63619611) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine
PubChem CID63619611
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc(CN2CCN(C)C(C)C2)c1
InChIInChI=1S/C18H31N3/c1-15(2)11-19-12-17-6-5-7-18(10-17)14-21-9-8-20(4)16(3)13-21/h5-7,10,15-16,19H,8-9,11-14H2,1-4H3
InChIKeyUKNYTZWTHBWJCG-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 55216612
N-[[4-[(3,4-dimethylpiperazin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 63620461
2-methyl-N-[[3-[(3-methylmorpholin-4-yl)methyl]phenyl]methyl]propan-1-amine
CID 62422688
4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline
CID 63621224
2-[4-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]-N-methylpropan-1-amine
CID 105347692
3-[(3,4-dimethylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 63610928
N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 63609305
2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 60962171
N-[[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62433615
5-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline
CID 63621067
2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081248
4-[(3,4-dimethylpiperazin-1-yl)methyl]phenol
CID 82973086

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine (CID 63619611) is N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cccc(CN2CCN(C)C(C)C2)c1.
What is the InChIKey of N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is UKNYTZWTHBWJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-15(2)11-19-12-17-6-5-7-18(10-17)14-21-9-8-20(4)16(3)13-21/h5-7,10,15-16,19H,8-9,11-14H2,1-4H3.
What are the key properties of N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine?
N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63619611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).