N-[[(1R)-2-butan-2-ylcyclopentyl]methyl]-N-ethylpropan-2-amine;ethane

C17H37N — CID 156836812

IUPACN-[[(1R)-2-butan-2-ylcyclopentyl]methyl]-N-ethylpropan-2-amine;ethane
SMILESCC.CCC(C)C1CCC[C@H]1CN(CC)C(C)C
InChIInChI=1S/C15H31N.C2H6/c1-6-13(5)15-10-8-9-14(15)11-16(7-2)12(3)4;1-2/h12-15H,6-11H2,1-5H3;1-2H3/t13?,14-,15?;/m0./s1
InChIKeyICPSSFABTRWSRU-BQMXRBQWSA-N
MW255.49 g/mol
LogP5.21
Rot. Bonds6

About N-[[(1R)-2-butan-2-ylcyclopentyl]methyl]-N-ethylpropan-2-amine;ethane

N-[[(1R)-2-butan-2-ylcyclopentyl]methyl]-N-ethylpropan-2-amine;ethane (PubChem CID 156836812) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is N-[[(1R)-2-butan-2-ylcyclopentyl]methyl]-N-ethylpropan-2-amine;ethane.

Molecular Properties

Compound NameN-[[(1R)-2-butan-2-ylcyclopentyl]methyl]-N-ethylpropan-2-amine;ethane
PubChem CID156836812
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC NameN-[[(1R)-2-butan-2-ylcyclopentyl]methyl]-N-ethylpropan-2-amine;ethane
SMILESCC.CCC(C)C1CCC[C@H]1CN(CC)C(C)C
InChIInChI=1S/C15H31N.C2H6/c1-6-13(5)15-10-8-9-14(15)11-16(7-2)12(3)4;1-2/h12-15H,6-11H2,1-5H3;1-2H3/t13?,14-,15?;/m0./s1
InChIKeyICPSSFABTRWSRU-BQMXRBQWSA-N
XLogP5.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.49
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2S)-butan-2-yl]-2-ethylcyclopentane
CID 146934548
1-butan-2-yl-2-ethylcyclopentane
CID 91358263
[(1S,2S)-2-butan-2-ylcyclohexyl]methanamine
CID 167231134
2-[[butan-2-yl(ethyl)amino]methyl]cyclopentan-1-amine
CID 62614684
1-butan-2-yl-2-[2-(2-methylcyclopropylidene)ethyl]cyclopentane
CID 91352436
1-butan-2-yl-2-pentan-3-ylcyclopentane
CID 123672278
trans-(1R,2S)-2-butan-2-ylcyclohexan-1-amine
CID 22853538
1-butan-2-yl-2-(4-methylpentan-2-yl)cyclopentane
CID 123699585
2-[2-[ethyl(propan-2-yl)amino]ethyl]cyclopentan-1-amine
CID 79569791
1-butan-2-yl-2-(2-methoxyethyl)cyclohexane
CID 175488685
N-[[(1R,2R)-2-(diethylaminomethyl)cyclopentyl]methyl]-N-ethylethanamine
CID 10538046
1-butan-2-yl-2-ethylcyclobutane
CID 91142944

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-2-butan-2-ylcyclopentyl]methyl]-N-ethylpropan-2-amine;ethane?
The IUPAC name of N-[[(1R)-2-butan-2-ylcyclopentyl]methyl]-N-ethylpropan-2-amine;ethane (CID 156836812) is N-[[(1R)-2-butan-2-ylcyclopentyl]methyl]-N-ethylpropan-2-amine;ethane.
What is the SMILES notation for N-[[(1R)-2-butan-2-ylcyclopentyl]methyl]-N-ethylpropan-2-amine;ethane?
The canonical SMILES for N-[[(1R)-2-butan-2-ylcyclopentyl]methyl]-N-ethylpropan-2-amine;ethane is CC.CCC(C)C1CCC[C@H]1CN(CC)C(C)C.
What is the InChIKey of N-[[(1R)-2-butan-2-ylcyclopentyl]methyl]-N-ethylpropan-2-amine;ethane?
The InChIKey is ICPSSFABTRWSRU-BQMXRBQWSA-N. The full InChI is InChI=1S/C15H31N.C2H6/c1-6-13(5)15-10-8-9-14(15)11-16(7-2)12(3)4;1-2/h12-15H,6-11H2,1-5H3;1-2H3/t13?,14-,15?;/m0./s1.
What are the key properties of N-[[(1R)-2-butan-2-ylcyclopentyl]methyl]-N-ethylpropan-2-amine;ethane?
N-[[(1R)-2-butan-2-ylcyclopentyl]methyl]-N-ethylpropan-2-amine;ethane has a molecular weight of 255.49 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-2-butan-2-ylcyclopentyl]methyl]-N-ethylpropan-2-amine;ethane is sourced from PubChem (CID 156836812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).