2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine

C20H37N — CID 105012642

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
SMILESCCNC(CC1CC2CCC1C2)C1(CC(C)C)CCCC1
InChIInChI=1S/C20H37N/c1-4-21-19(13-18-12-16-7-8-17(18)11-16)20(14-15(2)3)9-5-6-10-20/h15-19,21H,4-14H2,1-3H3
InChIKeyDARVOWYLNQCCGG-UHFFFAOYSA-N
MW291.52 g/mol
LogP5.40
Rot. Bonds7

About 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine

2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine (PubChem CID 105012642) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
PubChem CID105012642
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
SMILESCCNC(CC1CC2CCC1C2)C1(CC(C)C)CCCC1
InChIInChI=1S/C20H37N/c1-4-21-19(13-18-12-16-7-8-17(18)11-16)20(14-15(2)3)9-5-6-10-20/h15-19,21H,4-14H2,1-3H3
InChIKeyDARVOWYLNQCCGG-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol
CID 115821324
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine
CID 116765919
1-[2-(2-bicyclo[2.2.1]heptanyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79562721
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(oxolan-2-yl)propan-1-amine
CID 104993519
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine
CID 80603053
[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-ethoxycyclohexyl)ethyl]hydrazine
CID 105276430
3-(2-bicyclo[2.2.1]heptanyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 79563243
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 115779478
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bicyclo[3.1.0]hexanyl)-N-ethylethanamine
CID 105012693
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 115850124
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine
CID 43163798
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-methoxypropan-2-amine
CID 79563313

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine (CID 105012642) is 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine is CCNC(CC1CC2CCC1C2)C1(CC(C)C)CCCC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
The InChIKey is DARVOWYLNQCCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-4-21-19(13-18-12-16-7-8-17(18)11-16)20(14-15(2)3)9-5-6-10-20/h15-19,21H,4-14H2,1-3H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine has a molecular weight of 291.52 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine is sourced from PubChem (CID 105012642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).