N-[2-(1-methylpiperidin-4-yl)ethyl]-2-propyloxan-4-amine

C16H32N2O — CID 103991149

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]-2-propyloxan-4-amine
SMILESCCCC1CC(NCCC2CCN(C)CC2)CCO1
InChIInChI=1S/C16H32N2O/c1-3-4-16-13-15(8-12-19-16)17-9-5-14-6-10-18(2)11-7-14/h14-17H,3-13H2,1-2H3
InChIKeyTWEPRKJIESAGKB-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds6

About N-[2-(1-methylpiperidin-4-yl)ethyl]-2-propyloxan-4-amine

N-[2-(1-methylpiperidin-4-yl)ethyl]-2-propyloxan-4-amine (PubChem CID 103991149) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]-2-propyloxan-4-amine.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]-2-propyloxan-4-amine
PubChem CID103991149
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]-2-propyloxan-4-amine
SMILESCCCC1CC(NCCC2CCN(C)CC2)CCO1
InChIInChI=1S/C16H32N2O/c1-3-4-16-13-15(8-12-19-16)17-9-5-14-6-10-18(2)11-7-14/h14-17H,3-13H2,1-2H3
InChIKeyTWEPRKJIESAGKB-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(1-methylpiperidin-4-yl)ethyl]-2-propyloxan-4-amine 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

N-[2-(1-methylpiperidin-4-yl)ethyl]oxolan-3-amine
CID 115689075
N-[2-(cyclopropylmethoxy)ethyl]-2-propyloxan-4-amine
CID 103991212
6-[(2-propyloxan-4-yl)amino]hexan-1-ol
CID 103991516
N-[(1-methylpyrrolidin-2-yl)methyl]-2-propyloxan-4-amine
CID 103991074
3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine
CID 104859771
1-piperidin-1-yl-3-[(2-propyloxan-4-yl)amino]propan-1-one
CID 103991051
2,6-dimethyl-N-(2-propyloxan-4-yl)piperidin-1-amine
CID 83007696
N-[2-(1-methylpiperidin-4-yl)ethyl]cyclooctanamine
CID 115717422
N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515255
N-(3-methyl-2-propan-2-ylbutyl)-2-propyloxan-4-amine
CID 102904715
N-(2-cyclobutylethyl)-1-methylpiperidin-4-amine
CID 115893453
N-[(2,2-dimethylcyclopropyl)methyl]-2-propyloxan-4-amine
CID 103991250

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-2-propyloxan-4-amine?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-2-propyloxan-4-amine (CID 103991149) is N-[2-(1-methylpiperidin-4-yl)ethyl]-2-propyloxan-4-amine.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]-2-propyloxan-4-amine?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]-2-propyloxan-4-amine is CCCC1CC(NCCC2CCN(C)CC2)CCO1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]-2-propyloxan-4-amine?
The InChIKey is TWEPRKJIESAGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-4-16-13-15(8-12-19-16)17-9-5-14-6-10-18(2)11-7-14/h14-17H,3-13H2,1-2H3.
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]-2-propyloxan-4-amine?
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-propyloxan-4-amine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]-2-propyloxan-4-amine is sourced from PubChem (CID 103991149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).