N-[2-(1-tert-butyl-3-ethylpyrrolidin-3-yl)ethyl]-N-methylpropan-2-amine

C16H34N2 — CID 135224586

IUPACN-[2-(1-tert-butyl-3-ethylpyrrolidin-3-yl)ethyl]-N-methylpropan-2-amine
SMILESCCC1(CCN(C)C(C)C)CCN(C(C)(C)C)C1
InChIInChI=1S/C16H34N2/c1-8-16(9-11-17(7)14(2)3)10-12-18(13-16)15(4,5)6/h14H,8-13H2,1-7H3
InChIKeyZBEZTASBNXGFLW-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.62
Rot. Bonds5

About N-[2-(1-tert-butyl-3-ethylpyrrolidin-3-yl)ethyl]-N-methylpropan-2-amine

N-[2-(1-tert-butyl-3-ethylpyrrolidin-3-yl)ethyl]-N-methylpropan-2-amine (PubChem CID 135224586) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-[2-(1-tert-butyl-3-ethylpyrrolidin-3-yl)ethyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(1-tert-butyl-3-ethylpyrrolidin-3-yl)ethyl]-N-methylpropan-2-amine
PubChem CID135224586
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-[2-(1-tert-butyl-3-ethylpyrrolidin-3-yl)ethyl]-N-methylpropan-2-amine
SMILESCCC1(CCN(C)C(C)C)CCN(C(C)(C)C)C1
InChIInChI=1S/C16H34N2/c1-8-16(9-11-17(7)14(2)3)10-12-18(13-16)15(4,5)6/h14H,8-13H2,1-7H3
InChIKeyZBEZTASBNXGFLW-UHFFFAOYSA-N
XLogP3.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-ethyl-3-(fluoromethyl)piperidine
CID 175425681
2-(1,3-diethylpyrrolidin-3-yl)-N,N-dimethylethanamine
CID 170066692
3-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidin-1-amine
CID 170055778
1-[2-[methyl(propan-2-yl)amino]ethyl]cyclopropan-1-amine
CID 84763773
N-[2-[2-(iodomethyl)oxetan-2-yl]ethyl]-N-methylpropan-2-amine
CID 130347240
N-methyl-N-[2-(2-methylazetidin-2-yl)ethyl]propan-2-amine
CID 165404573
N-methyl-N-[2-[1-(trifluoromethyl)cyclopropyl]ethyl]propan-2-amine
CID 178108544
N-[2-[1-[4-(8-tert-butyl-2,8-diazaspiro[3.5]non-5-en-2-yl)-2,4-dimethylpentan-2-yl]-3-methylazetidin-3-yl]ethyl]-N-methylpropan-2-amine
CID 170394210
ethane;N-methyl-N-[2-(1-methylcyclopentyl)ethyl]propan-2-amine
CID 166552547
1-tert-butyl-4-ethylpiperidin-4-ol
CID 58889957
2-(1-ethylcyclohexyl)-N,N-dimethylethanamine
CID 143122027
N-methyl-1-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine
CID 167227168

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-tert-butyl-3-ethylpyrrolidin-3-yl)ethyl]-N-methylpropan-2-amine?
The IUPAC name of N-[2-(1-tert-butyl-3-ethylpyrrolidin-3-yl)ethyl]-N-methylpropan-2-amine (CID 135224586) is N-[2-(1-tert-butyl-3-ethylpyrrolidin-3-yl)ethyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[2-(1-tert-butyl-3-ethylpyrrolidin-3-yl)ethyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[2-(1-tert-butyl-3-ethylpyrrolidin-3-yl)ethyl]-N-methylpropan-2-amine is CCC1(CCN(C)C(C)C)CCN(C(C)(C)C)C1.
What is the InChIKey of N-[2-(1-tert-butyl-3-ethylpyrrolidin-3-yl)ethyl]-N-methylpropan-2-amine?
The InChIKey is ZBEZTASBNXGFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-8-16(9-11-17(7)14(2)3)10-12-18(13-16)15(4,5)6/h14H,8-13H2,1-7H3.
What are the key properties of N-[2-(1-tert-butyl-3-ethylpyrrolidin-3-yl)ethyl]-N-methylpropan-2-amine?
N-[2-(1-tert-butyl-3-ethylpyrrolidin-3-yl)ethyl]-N-methylpropan-2-amine has a molecular weight of 254.46 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-tert-butyl-3-ethylpyrrolidin-3-yl)ethyl]-N-methylpropan-2-amine is sourced from PubChem (CID 135224586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).