N-ethyl-N,1,2,2,3,4,5,5-octamethyl-4-propan-2-ylpyrrolidin-3-amine

C17H36N2 — CID 18727338

IUPACN-ethyl-N,1,2,2,3,4,5,5-octamethyl-4-propan-2-ylpyrrolidin-3-amine
SMILESCCN(C)C1(C)C(C)(C)N(C)C(C)(C)C1(C)C(C)C
InChIInChI=1S/C17H36N2/c1-12-18(10)17(9)15(6,7)19(11)14(4,5)16(17,8)13(2)3/h13H,12H2,1-11H3
InChIKeyKTRIXNSVCOCZPE-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.86
Rot. Bonds3

About N-ethyl-N,1,2,2,3,4,5,5-octamethyl-4-propan-2-ylpyrrolidin-3-amine

N-ethyl-N,1,2,2,3,4,5,5-octamethyl-4-propan-2-ylpyrrolidin-3-amine (PubChem CID 18727338) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-ethyl-N,1,2,2,3,4,5,5-octamethyl-4-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N,1,2,2,3,4,5,5-octamethyl-4-propan-2-ylpyrrolidin-3-amine
PubChem CID18727338
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-ethyl-N,1,2,2,3,4,5,5-octamethyl-4-propan-2-ylpyrrolidin-3-amine
SMILESCCN(C)C1(C)C(C)(C)N(C)C(C)(C)C1(C)C(C)C
InChIInChI=1S/C17H36N2/c1-12-18(10)17(9)15(6,7)19(11)14(4,5)16(17,8)13(2)3/h13H,12H2,1-11H3
InChIKeyKTRIXNSVCOCZPE-UHFFFAOYSA-N
XLogP3.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(2,3-Dimethylbutan-2-yl)-4-methylpyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine
CID 20664547
(3S,4S)-1,2,2,3,4,5,5-heptamethyl-3,4-di(propan-2-yl)pyrrolidine
CID 53915688
(3R,4R)-1,2,2,3,4,5,5-heptamethyl-3,4-di(propan-2-yl)pyrrolidine
CID 53915689
1,2,2,3,4,5,5-Heptamethyl-3,4-di(propan-2-yl)pyrrolidine
CID 53915690
1-Ethyl-2,2,3,4,5,5-hexamethylpyrrolidin-3-amine
CID 54423659
1,2,3-Tritert-butylpyrrolidine
CID 58226566
3-Butan-2-yl-1,2-ditert-butylpyrrolidine
CID 59701501
3,3-Ditert-butyl-1,2,2,5,5-pentamethylpyrrolidine
CID 59748907
1-Tert-butyl-4-(3-tert-butylpyrrolidin-1-yl)piperidine
CID 66600663
4,4-Diethyl-1,3-dimethylpyrrolidin-3-amine
CID 67975095
11-Tert-butyl-4-methyl-1,4,8-triazabicyclo[6.6.3]heptadecane
CID 68197592
1-(4-Methylheptan-4-yl)-3-(4-methyloctan-4-yl)pyrrolidine
CID 68393768

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,1,2,2,3,4,5,5-octamethyl-4-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of N-ethyl-N,1,2,2,3,4,5,5-octamethyl-4-propan-2-ylpyrrolidin-3-amine (CID 18727338) is N-ethyl-N,1,2,2,3,4,5,5-octamethyl-4-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-N,1,2,2,3,4,5,5-octamethyl-4-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-ethyl-N,1,2,2,3,4,5,5-octamethyl-4-propan-2-ylpyrrolidin-3-amine is CCN(C)C1(C)C(C)(C)N(C)C(C)(C)C1(C)C(C)C.
What is the InChIKey of N-ethyl-N,1,2,2,3,4,5,5-octamethyl-4-propan-2-ylpyrrolidin-3-amine?
The InChIKey is KTRIXNSVCOCZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-12-18(10)17(9)15(6,7)19(11)14(4,5)16(17,8)13(2)3/h13H,12H2,1-11H3.
What are the key properties of N-ethyl-N,1,2,2,3,4,5,5-octamethyl-4-propan-2-ylpyrrolidin-3-amine?
N-ethyl-N,1,2,2,3,4,5,5-octamethyl-4-propan-2-ylpyrrolidin-3-amine has a molecular weight of 268.49 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,1,2,2,3,4,5,5-octamethyl-4-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 18727338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).