N'-(2-methoxyethyl)-N'-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine

C16H33N3O — CID 62843077

IUPACN'-(2-methoxyethyl)-N'-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine
SMILESCOCCN(C)CCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C16H33N3O/c1-15(2)5-9-19-10-6-16(7-11-19)17-8-12-18(3)13-14-20-4/h5,16-17H,6-14H2,1-4H3
InChIKeyCISLSYNFDKFYTK-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.58
Rot. Bonds9

About N'-(2-methoxyethyl)-N'-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine

N'-(2-methoxyethyl)-N'-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine (PubChem CID 62843077) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine
PubChem CID62843077
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN'-(2-methoxyethyl)-N'-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine
SMILESCOCCN(C)CCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C16H33N3O/c1-15(2)5-9-19-10-6-16(7-11-19)17-8-12-18(3)13-14-20-4/h5,16-17H,6-14H2,1-4H3
InChIKeyCISLSYNFDKFYTK-UHFFFAOYSA-N
XLogP1.58
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N'-(2-methoxyethyl)-N'-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine (CID 62843077) is N'-(2-methoxyethyl)-N'-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine is COCCN(C)CCNC1CCN(CC=C(C)C)CC1.
What is the InChIKey of N'-(2-methoxyethyl)-N'-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine?
The InChIKey is CISLSYNFDKFYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-15(2)5-9-19-10-6-16(7-11-19)17-8-12-18(3)13-14-20-4/h5,16-17H,6-14H2,1-4H3.
What are the key properties of N'-(2-methoxyethyl)-N'-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine?
N'-(2-methoxyethyl)-N'-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine has a molecular weight of 283.46 g/mol, XLogP of 1.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 62843077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).