2-(3-tert-butylpyrrolidin-1-yl)-1-cyclohexylethanamine

C16H32N2 — CID 104746974

IUPAC2-(3-tert-butylpyrrolidin-1-yl)-1-cyclohexylethanamine
SMILESCC(C)(C)C1CCN(CC(N)C2CCCCC2)C1
InChIInChI=1S/C16H32N2/c1-16(2,3)14-9-10-18(11-14)12-15(17)13-7-5-4-6-8-13/h13-15H,4-12,17H2,1-3H3
InChIKeyWRKGHDUCNBGDLR-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.26
Rot. Bonds3

About 2-(3-tert-butylpyrrolidin-1-yl)-1-cyclohexylethanamine

2-(3-tert-butylpyrrolidin-1-yl)-1-cyclohexylethanamine (PubChem CID 104746974) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-(3-tert-butylpyrrolidin-1-yl)-1-cyclohexylethanamine.

Molecular Properties

Compound Name2-(3-tert-butylpyrrolidin-1-yl)-1-cyclohexylethanamine
PubChem CID104746974
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-(3-tert-butylpyrrolidin-1-yl)-1-cyclohexylethanamine
SMILESCC(C)(C)C1CCN(CC(N)C2CCCCC2)C1
InChIInChI=1S/C16H32N2/c1-16(2,3)14-9-10-18(11-14)12-15(17)13-7-5-4-6-8-13/h13-15H,4-12,17H2,1-3H3
InChIKeyWRKGHDUCNBGDLR-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-N-[(4-tert-butylcyclohexyl)methyl]-1-N-[(2R)-1-(methylamino)propan-2-yl]hexane-1,2-diamine
CID 24792593
(4-tert-butylcyclohexyl)methyl-[(1S)-1-[[[(1R,2R)-2-methyl-1-(methylaminomethyl)butyl]amino]methyl]butyl]amine
CID 24792601
2-Cyclohexyl-2-pyrrolidin-1-ylethanamine
CID 16792616
1-Cyclohexyl-2-pyrrolidin-1-ylethanamine
CID 77589306
(2-Propan-2-yl-2-azaspiro[4.5]decan-4-yl)methanamine
CID 124052739
2-Ethyloctahydro-1H-isoindole-1-methylamine
CID 92469
N-[6-(5-fluoro-2-methylcyclohexyl)-2,2-dimethyloctan-3-yl]-N-(2-methylpropyl)pyrrolidin-3-amine
CID 135196483
1-Cyclohexyl-N-((1-ethylpyrrolidin-2-yl)methyl)methanamine
CID 17214017
2-N-[2-[(4-tert-butylcyclohexyl)methylamino]pentyl]-1-N,3-dimethylpentane-1,2-diamine
CID 73758794
(3S)-N-[(1R)-1-cyclohexylethyl]-1-methylpyrrolidin-3-amine
CID 93876517
(4-Tert-butylcyclohexyl)[2-(dimethylamino)ethyl]amine
CID 16771409
[1-(Cyclohexylmethyl)pyrrolidin-2-yl]methanamine
CID 21268496

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylpyrrolidin-1-yl)-1-cyclohexylethanamine?
The IUPAC name of 2-(3-tert-butylpyrrolidin-1-yl)-1-cyclohexylethanamine (CID 104746974) is 2-(3-tert-butylpyrrolidin-1-yl)-1-cyclohexylethanamine.
What is the SMILES notation for 2-(3-tert-butylpyrrolidin-1-yl)-1-cyclohexylethanamine?
The canonical SMILES for 2-(3-tert-butylpyrrolidin-1-yl)-1-cyclohexylethanamine is CC(C)(C)C1CCN(CC(N)C2CCCCC2)C1.
What is the InChIKey of 2-(3-tert-butylpyrrolidin-1-yl)-1-cyclohexylethanamine?
The InChIKey is WRKGHDUCNBGDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-16(2,3)14-9-10-18(11-14)12-15(17)13-7-5-4-6-8-13/h13-15H,4-12,17H2,1-3H3.
What are the key properties of 2-(3-tert-butylpyrrolidin-1-yl)-1-cyclohexylethanamine?
2-(3-tert-butylpyrrolidin-1-yl)-1-cyclohexylethanamine has a molecular weight of 252.45 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylpyrrolidin-1-yl)-1-cyclohexylethanamine is sourced from PubChem (CID 104746974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).