N-[[4-(3,4-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]propan-2-amine

C17H29N3 — CID 63635862

IUPACN-[[4-(3,4-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)ccc1N1CCN(C)C(C)C1
InChIInChI=1S/C17H29N3/c1-13(2)18-11-16-6-7-17(14(3)10-16)20-9-8-19(5)15(4)12-20/h6-7,10,13,15,18H,8-9,11-12H2,1-5H3
InChIKeyCWUPTSHSONODGX-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.63
Rot. Bonds4

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

N-[[4-(3,4-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]propan-2-amine (PubChem CID 63635862) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[4-(3,4-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(3,4-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]propan-2-amine
PubChem CID63635862
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[4-(3,4-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)ccc1N1CCN(C)C(C)C1
InChIInChI=1S/C17H29N3/c1-13(2)18-11-16-6-7-17(14(3)10-16)20-9-8-19(5)15(4)12-20/h6-7,10,13,15,18H,8-9,11-12H2,1-5H3
InChIKeyCWUPTSHSONODGX-UHFFFAOYSA-N
XLogP2.63
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol
CID 62120166
N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 55040210
N-[(3-methyl-4-thiomorpholin-4-ylphenyl)methyl]propan-2-amine
CID 62121009
1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidine-4-carboxamide
CID 62121170
N-[[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-methylphenyl]methyl]propan-2-amine
CID 64575732
N-methyl-1-[3-methyl-4-(4-methylazepan-1-yl)phenyl]methanamine
CID 63624111
N-[[3-chloro-4-(3,4-dimethylpiperazin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 81144196
3-methyl-1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-ol
CID 114679400
4-methyl-1-[2-methyl-4-(methylaminomethyl)phenyl]piperidin-3-ol
CID 102960910
N-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 43280276
N-[[4-(azepan-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63061231
N-[[6-(3,4-dimethylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 80638985

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(3,4-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]propan-2-amine (CID 63635862) is N-[[4-(3,4-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(3,4-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(3,4-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]propan-2-amine is Cc1cc(CNC(C)C)ccc1N1CCN(C)C(C)C1.
What is the InChIKey of N-[[4-(3,4-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]propan-2-amine?
The InChIKey is CWUPTSHSONODGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-13(2)18-11-16-6-7-17(14(3)10-16)20-9-8-19(5)15(4)12-20/h6-7,10,13,15,18H,8-9,11-12H2,1-5H3.
What are the key properties of N-[[4-(3,4-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]propan-2-amine?
N-[[4-(3,4-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]propan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 63635862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).