N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine

C16H33N3O — CID 63234237

IUPACN'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
SMILESCC(NCCN(C)CC1CCN(C)CC1)C1CCCO1
InChIInChI=1S/C16H33N3O/c1-14(16-5-4-12-20-16)17-8-11-19(3)13-15-6-9-18(2)10-7-15/h14-17H,4-13H2,1-3H3
InChIKeyXXMDMWWOSOCCHB-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.42
Rot. Bonds7

About N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine

N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine (PubChem CID 63234237) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
PubChem CID63234237
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
SMILESCC(NCCN(C)CC1CCN(C)CC1)C1CCCO1
InChIInChI=1S/C16H33N3O/c1-14(16-5-4-12-20-16)17-8-11-19(3)13-15-6-9-18(2)10-7-15/h14-17H,4-13H2,1-3H3
InChIKeyXXMDMWWOSOCCHB-UHFFFAOYSA-N
XLogP1.42
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine (CID 63234237) is N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine is CC(NCCN(C)CC1CCN(C)CC1)C1CCCO1.
What is the InChIKey of N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine?
The InChIKey is XXMDMWWOSOCCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-14(16-5-4-12-20-16)17-8-11-19(3)13-15-6-9-18(2)10-7-15/h14-17H,4-13H2,1-3H3.
What are the key properties of N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine?
N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine has a molecular weight of 283.46 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 63234237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).