5-amino-1-(3,3-diethylpyrrolidin-1-yl)-4-methylpentan-1-one

C14H28N2O — CID 82688893

IUPAC5-amino-1-(3,3-diethylpyrrolidin-1-yl)-4-methylpentan-1-one
SMILESCCC1(CC)CCN(C(=O)CCC(C)CN)C1
InChIInChI=1S/C14H28N2O/c1-4-14(5-2)8-9-16(11-14)13(17)7-6-12(3)10-15/h12H,4-11,15H2,1-3H3
InChIKeyIHYNPDWABRTTRQ-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.40
Rot. Bonds6

About 5-amino-1-(3,3-diethylpyrrolidin-1-yl)-4-methylpentan-1-one

5-amino-1-(3,3-diethylpyrrolidin-1-yl)-4-methylpentan-1-one (PubChem CID 82688893) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 5-amino-1-(3,3-diethylpyrrolidin-1-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-(3,3-diethylpyrrolidin-1-yl)-4-methylpentan-1-one
PubChem CID82688893
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name5-amino-1-(3,3-diethylpyrrolidin-1-yl)-4-methylpentan-1-one
SMILESCCC1(CC)CCN(C(=O)CCC(C)CN)C1
InChIInChI=1S/C14H28N2O/c1-4-14(5-2)8-9-16(11-14)13(17)7-6-12(3)10-15/h12H,4-11,15H2,1-3H3
InChIKeyIHYNPDWABRTTRQ-UHFFFAOYSA-N
XLogP2.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(3,3-diethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 81079989
1-(4,4-diethylpiperidin-1-yl)-4-hydroxypentan-1-one
CID 79192492
1-(5-amino-4-methylpentanoyl)-3-propylpiperidine-3-carboxylic acid
CID 82012183
5-amino-4-methyl-1-[4-(3-methylbutanoyl)piperazin-1-yl]pentan-1-one
CID 82011875
5-amino-1-(3-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one
CID 82011405
1-(5-amino-4-methylpentanoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83071106
5-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 82684034
1-(5-amino-4-methylpentanoyl)piperidine-4-carboxamide
CID 82683543
5-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpentan-1-one
CID 82683408
5-amino-1-(4-ethoxypiperidin-1-yl)-4-methylpentan-1-one
CID 82010948
2-[4-(5-amino-4-methylpentanoyl)-1,4-diazepan-1-yl]acetic acid
CID 82011803
5-amino-1-(4-methoxypiperidin-1-yl)-4-methylpentan-1-one
CID 82017222

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3,3-diethylpyrrolidin-1-yl)-4-methylpentan-1-one?
The IUPAC name of 5-amino-1-(3,3-diethylpyrrolidin-1-yl)-4-methylpentan-1-one (CID 82688893) is 5-amino-1-(3,3-diethylpyrrolidin-1-yl)-4-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-(3,3-diethylpyrrolidin-1-yl)-4-methylpentan-1-one?
The canonical SMILES for 5-amino-1-(3,3-diethylpyrrolidin-1-yl)-4-methylpentan-1-one is CCC1(CC)CCN(C(=O)CCC(C)CN)C1.
What is the InChIKey of 5-amino-1-(3,3-diethylpyrrolidin-1-yl)-4-methylpentan-1-one?
The InChIKey is IHYNPDWABRTTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-14(5-2)8-9-16(11-14)13(17)7-6-12(3)10-15/h12H,4-11,15H2,1-3H3.
What are the key properties of 5-amino-1-(3,3-diethylpyrrolidin-1-yl)-4-methylpentan-1-one?
5-amino-1-(3,3-diethylpyrrolidin-1-yl)-4-methylpentan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3,3-diethylpyrrolidin-1-yl)-4-methylpentan-1-one is sourced from PubChem (CID 82688893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).