2-(ethylamino)-1-(2-methylazocan-1-yl)pentan-3-one

C15H30N2O — CID 71154610

IUPAC2-(ethylamino)-1-(2-methylazocan-1-yl)pentan-3-one
SMILESCCNC(CN1CCCCCCC1C)C(=O)CC
InChIInChI=1S/C15H30N2O/c1-4-15(18)14(16-5-2)12-17-11-9-7-6-8-10-13(17)3/h13-14,16H,4-12H2,1-3H3
InChIKeyFDZLSWOFYCWYEX-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.60
Rot. Bonds6

About 2-(ethylamino)-1-(2-methylazocan-1-yl)pentan-3-one

2-(ethylamino)-1-(2-methylazocan-1-yl)pentan-3-one (PubChem CID 71154610) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-(ethylamino)-1-(2-methylazocan-1-yl)pentan-3-one.

Molecular Properties

Compound Name2-(ethylamino)-1-(2-methylazocan-1-yl)pentan-3-one
PubChem CID71154610
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-(ethylamino)-1-(2-methylazocan-1-yl)pentan-3-one
SMILESCCNC(CN1CCCCCCC1C)C(=O)CC
InChIInChI=1S/C15H30N2O/c1-4-15(18)14(16-5-2)12-17-11-9-7-6-8-10-13(17)3/h13-14,16H,4-12H2,1-3H3
InChIKeyFDZLSWOFYCWYEX-UHFFFAOYSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(ethylamino)-1-(2-methylazocan-1-yl)pentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(ethylamino)-1-piperidin-1-ylpentan-3-one
CID 71154517
2-(ethylamino)-4-(2-methylpiperidin-1-yl)butanoic acid
CID 63027395
(2S)-2-methyl-3-[(2S)-2-methylpiperidin-1-yl]propanoic acid
CID 98191086
N-ethyl-1-methoxy-3-(2-methylpiperidin-1-yl)propan-2-amine
CID 107505238
3-(2-methylazepan-1-yl)propane-1,2-diol
CID 82850957
N-ethyl-1-(2-methylpyrrolidin-1-yl)pentan-2-amine
CID 62042499
2-ethoxy-3-(2-methylpiperidin-1-yl)propanoic acid
CID 63069094
N-ethyl-2-(2-methylpiperidin-1-yl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 63465659
2-(ethylamino)-1-(1-methylpiperidin-4-yl)pentan-3-one
CID 71154625
(2R)-2-methyl-3-[(2R)-2-methylpiperidin-1-yl]propan-1-ol
CID 51777105
ethane;1-ethyl-2-methylazepane
CID 145020951
4-(2-methylpiperidin-1-yl)-3-(propylamino)butan-1-ol
CID 64898364

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(2-methylazocan-1-yl)pentan-3-one?
The IUPAC name of 2-(ethylamino)-1-(2-methylazocan-1-yl)pentan-3-one (CID 71154610) is 2-(ethylamino)-1-(2-methylazocan-1-yl)pentan-3-one.
What is the SMILES notation for 2-(ethylamino)-1-(2-methylazocan-1-yl)pentan-3-one?
The canonical SMILES for 2-(ethylamino)-1-(2-methylazocan-1-yl)pentan-3-one is CCNC(CN1CCCCCCC1C)C(=O)CC.
What is the InChIKey of 2-(ethylamino)-1-(2-methylazocan-1-yl)pentan-3-one?
The InChIKey is FDZLSWOFYCWYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-15(18)14(16-5-2)12-17-11-9-7-6-8-10-13(17)3/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 2-(ethylamino)-1-(2-methylazocan-1-yl)pentan-3-one?
2-(ethylamino)-1-(2-methylazocan-1-yl)pentan-3-one has a molecular weight of 254.42 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-(2-methylazocan-1-yl)pentan-3-one is sourced from PubChem (CID 71154610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).