N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine

C13H27N3O — CID 82835313

IUPACN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine
SMILESCN1CCC(CN(C)C(CN)C2CCCO2)C1
InChIInChI=1S/C13H27N3O/c1-15-6-5-11(9-15)10-16(2)12(8-14)13-4-3-7-17-13/h11-13H,3-10,14H2,1-2H3
InChIKeyJBPHISWZLKFADD-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.38
Rot. Bonds5

About N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine

N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine (PubChem CID 82835313) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine
PubChem CID82835313
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine
SMILESCN1CCC(CN(C)C(CN)C2CCCO2)C1
InChIInChI=1S/C13H27N3O/c1-15-6-5-11(9-15)10-16(2)12(8-14)13-4-3-7-17-13/h11-13H,3-10,14H2,1-2H3
InChIKeyJBPHISWZLKFADD-UHFFFAOYSA-N
XLogP0.38
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.38
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-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine (CID 82835313) is N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine is CN1CCC(CN(C)C(CN)C2CCCO2)C1.
What is the InChIKey of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine?
The InChIKey is JBPHISWZLKFADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-15-6-5-11(9-15)10-16(2)12(8-14)13-4-3-7-17-13/h11-13H,3-10,14H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine?
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine has a molecular weight of 241.38 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 82835313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).