N-[2-(2,4-dimethylphenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine

C17H28N2 — CID 115146089

IUPACN-[2-(2,4-dimethylphenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine
SMILESCc1ccc(CCN(C)C2CNC(C)(C)C2)c(C)c1
InChIInChI=1S/C17H28N2/c1-13-6-7-15(14(2)10-13)8-9-19(5)16-11-17(3,4)18-12-16/h6-7,10,16,18H,8-9,11-12H2,1-5H3
InChIKeyCYLIGQQOJQAWLY-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.92
Rot. Bonds4

About N-[2-(2,4-dimethylphenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine

N-[2-(2,4-dimethylphenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine (PubChem CID 115146089) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine
PubChem CID115146089
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[2-(2,4-dimethylphenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine
SMILESCc1ccc(CCN(C)C2CNC(C)(C)C2)c(C)c1
InChIInChI=1S/C17H28N2/c1-13-6-7-15(14(2)10-13)8-9-19(5)16-11-17(3,4)18-12-16/h6-7,10,16,18H,8-9,11-12H2,1-5H3
InChIKeyCYLIGQQOJQAWLY-UHFFFAOYSA-N
XLogP2.92
TPSA15.27 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-N,2,2-trimethylpiperidin-4-amine
CID 115145537
N-[2-(2,5-dimethylphenyl)ethyl]-N-methylazetidin-3-amine
CID 117040756
2-(2,4-dimethylphenyl)-N-iodo-N-methylethanamine
CID 166117253
N,5,5-trimethyl-N-(2-methylphenyl)pyrrolidin-3-amine
CID 82013361
N-[(2-bromophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine
CID 115146007
1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136246
2-(2,4-dimethylphenyl)ethyl-methylcarbamic acid
CID 115171227
N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-4-amine
CID 83713467
N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-3-amine
CID 63642105
3-[(2,4-dimethylphenyl)methyl]azetidine
CID 16780033
2-[2-(2,4-dimethylphenyl)ethyl]oxirane
CID 83928048
1-N-[2-(2,4-dimethylphenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 115196905

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine?
The IUPAC name of N-[2-(2,4-dimethylphenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine (CID 115146089) is N-[2-(2,4-dimethylphenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine.
What is the SMILES notation for N-[2-(2,4-dimethylphenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine?
The canonical SMILES for N-[2-(2,4-dimethylphenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine is Cc1ccc(CCN(C)C2CNC(C)(C)C2)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylphenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine?
The InChIKey is CYLIGQQOJQAWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-6-7-15(14(2)10-13)8-9-19(5)16-11-17(3,4)18-12-16/h6-7,10,16,18H,8-9,11-12H2,1-5H3.
What are the key properties of N-[2-(2,4-dimethylphenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine?
N-[2-(2,4-dimethylphenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine has a molecular weight of 260.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 115146089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).