3-(3-morpholin-4-ylpyrrolidin-1-yl)heptan-4-amine

C15H31N3O — CID 63169744

IUPAC3-(3-morpholin-4-ylpyrrolidin-1-yl)heptan-4-amine
SMILESCCCC(N)C(CC)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H31N3O/c1-3-5-14(16)15(4-2)18-7-6-13(12-18)17-8-10-19-11-9-17/h13-15H,3-12,16H2,1-2H3
InChIKeyVVJLTMWXEBNAIM-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.30
Rot. Bonds6

About 3-(3-morpholin-4-ylpyrrolidin-1-yl)heptan-4-amine

3-(3-morpholin-4-ylpyrrolidin-1-yl)heptan-4-amine (PubChem CID 63169744) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylpyrrolidin-1-yl)heptan-4-amine.

Molecular Properties

Compound Name3-(3-morpholin-4-ylpyrrolidin-1-yl)heptan-4-amine
PubChem CID63169744
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-(3-morpholin-4-ylpyrrolidin-1-yl)heptan-4-amine
SMILESCCCC(N)C(CC)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H31N3O/c1-3-5-14(16)15(4-2)18-7-6-13(12-18)17-8-10-19-11-9-17/h13-15H,3-12,16H2,1-2H3
InChIKeyVVJLTMWXEBNAIM-UHFFFAOYSA-N
XLogP1.30
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-ylpyrrolidin-1-yl)heptan-4-amine?
The IUPAC name of 3-(3-morpholin-4-ylpyrrolidin-1-yl)heptan-4-amine (CID 63169744) is 3-(3-morpholin-4-ylpyrrolidin-1-yl)heptan-4-amine.
What is the SMILES notation for 3-(3-morpholin-4-ylpyrrolidin-1-yl)heptan-4-amine?
The canonical SMILES for 3-(3-morpholin-4-ylpyrrolidin-1-yl)heptan-4-amine is CCCC(N)C(CC)N1CCC(N2CCOCC2)C1.
What is the InChIKey of 3-(3-morpholin-4-ylpyrrolidin-1-yl)heptan-4-amine?
The InChIKey is VVJLTMWXEBNAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-5-14(16)15(4-2)18-7-6-13(12-18)17-8-10-19-11-9-17/h13-15H,3-12,16H2,1-2H3.
What are the key properties of 3-(3-morpholin-4-ylpyrrolidin-1-yl)heptan-4-amine?
3-(3-morpholin-4-ylpyrrolidin-1-yl)heptan-4-amine has a molecular weight of 269.43 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylpyrrolidin-1-yl)heptan-4-amine is sourced from PubChem (CID 63169744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).