N-[2-(2,4-dimethylphenyl)-2-methylpropyl]piperidin-4-amine

C17H28N2 — CID 115118559

IUPACN-[2-(2,4-dimethylphenyl)-2-methylpropyl]piperidin-4-amine
SMILESCc1ccc(C(C)(C)CNC2CCNCC2)c(C)c1
InChIInChI=1S/C17H28N2/c1-13-5-6-16(14(2)11-13)17(3,4)12-19-15-7-9-18-10-8-15/h5-6,11,15,18-19H,7-10,12H2,1-4H3
InChIKeyQVAKCICDYQTWMR-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.92
Rot. Bonds4

About N-[2-(2,4-dimethylphenyl)-2-methylpropyl]piperidin-4-amine

N-[2-(2,4-dimethylphenyl)-2-methylpropyl]piperidin-4-amine (PubChem CID 115118559) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenyl)-2-methylpropyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenyl)-2-methylpropyl]piperidin-4-amine
PubChem CID115118559
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[2-(2,4-dimethylphenyl)-2-methylpropyl]piperidin-4-amine
SMILESCc1ccc(C(C)(C)CNC2CCNCC2)c(C)c1
InChIInChI=1S/C17H28N2/c1-13-5-6-16(14(2)11-13)17(3,4)12-19-15-7-9-18-10-8-15/h5-6,11,15,18-19H,7-10,12H2,1-4H3
InChIKeyQVAKCICDYQTWMR-UHFFFAOYSA-N
XLogP2.92
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,5-dimethylphenyl)-2-methylpropyl]piperidin-4-amine
CID 115118553
N-[2-methyl-2-(2-methylphenyl)propyl]piperidin-4-amine
CID 115118569
N-[2-(2,4-difluorophenyl)-2-methylpropyl]piperidin-4-amine
CID 115118563
1-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]cyclopentane-1,2-diamine
CID 115117726
N-[2-methyl-2-(2-methylphenyl)propyl]cyclopropanamine
CID 62595487
N-[2-(3,4-dimethylphenyl)-2-methylpropyl]pyrrolidin-3-amine
CID 115119164
N-[2-(4-ethylphenyl)-2-methylpropyl]piperidin-4-amine
CID 115118551
N-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine
CID 80526034
[2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid
CID 115171380
3-[[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]methyl]cyclobutan-1-amine
CID 115214414
N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide
CID 115191406
2-(2,4-dimethylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine
CID 115259147

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenyl)-2-methylpropyl]piperidin-4-amine?
The IUPAC name of N-[2-(2,4-dimethylphenyl)-2-methylpropyl]piperidin-4-amine (CID 115118559) is N-[2-(2,4-dimethylphenyl)-2-methylpropyl]piperidin-4-amine.
What is the SMILES notation for N-[2-(2,4-dimethylphenyl)-2-methylpropyl]piperidin-4-amine?
The canonical SMILES for N-[2-(2,4-dimethylphenyl)-2-methylpropyl]piperidin-4-amine is Cc1ccc(C(C)(C)CNC2CCNCC2)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylphenyl)-2-methylpropyl]piperidin-4-amine?
The InChIKey is QVAKCICDYQTWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-5-6-16(14(2)11-13)17(3,4)12-19-15-7-9-18-10-8-15/h5-6,11,15,18-19H,7-10,12H2,1-4H3.
What are the key properties of N-[2-(2,4-dimethylphenyl)-2-methylpropyl]piperidin-4-amine?
N-[2-(2,4-dimethylphenyl)-2-methylpropyl]piperidin-4-amine has a molecular weight of 260.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenyl)-2-methylpropyl]piperidin-4-amine is sourced from PubChem (CID 115118559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).