4-(2-aminoethyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methylhexan-1-one

C15H30N2O2 — CID 114797462

IUPAC4-(2-aminoethyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methylhexan-1-one
SMILESCC(C)C(CCN)CCC(=O)N1CCC(CCO)C1
InChIInChI=1S/C15H30N2O2/c1-12(2)14(5-8-16)3-4-15(19)17-9-6-13(11-17)7-10-18/h12-14,18H,3-11,16H2,1-2H3
InChIKeyYNTKDPNTILXBCN-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.62
Rot. Bonds8

About 4-(2-aminoethyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methylhexan-1-one

4-(2-aminoethyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methylhexan-1-one (PubChem CID 114797462) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methylhexan-1-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methylhexan-1-one
PubChem CID114797462
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name4-(2-aminoethyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methylhexan-1-one
SMILESCC(C)C(CCN)CCC(=O)N1CCC(CCO)C1
InChIInChI=1S/C15H30N2O2/c1-12(2)14(5-8-16)3-4-15(19)17-9-6-13(11-17)7-10-18/h12-14,18H,3-11,16H2,1-2H3
InChIKeyYNTKDPNTILXBCN-UHFFFAOYSA-N
XLogP1.62
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one
CID 114797469
(3S)-1-[4-(2-aminoethyl)-5-methylhexanoyl]piperidine-3-carboxylic acid
CID 81125711
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one
CID 114797505
4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 103156847
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-methyl-2-sulfanylbutan-1-one
CID 107036526
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-methoxybutan-1-one
CID 115775093
4-(2-aminoethyl)-5-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)hexan-1-one
CID 102743737
7-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
CID 107216980
7-[4-(2-aminoethyl)-5-methylhexanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79096433
6-(2-aminoethyl)-1-cyclopropyl-7-methyloctan-3-one
CID 116577998
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methyl-3-oxopropanethioamide
CID 114797653
2-[1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 114798908

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methylhexan-1-one?
The IUPAC name of 4-(2-aminoethyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methylhexan-1-one (CID 114797462) is 4-(2-aminoethyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methylhexan-1-one.
What is the SMILES notation for 4-(2-aminoethyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methylhexan-1-one?
The canonical SMILES for 4-(2-aminoethyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methylhexan-1-one is CC(C)C(CCN)CCC(=O)N1CCC(CCO)C1.
What is the InChIKey of 4-(2-aminoethyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methylhexan-1-one?
The InChIKey is YNTKDPNTILXBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(2)14(5-8-16)3-4-15(19)17-9-6-13(11-17)7-10-18/h12-14,18H,3-11,16H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methylhexan-1-one?
4-(2-aminoethyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methylhexan-1-one has a molecular weight of 270.42 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methylhexan-1-one is sourced from PubChem (CID 114797462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).