N-[1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine

C17H31N3O — CID 79108697

IUPACN-[1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccn1CC1CN(C(C)C)CCO1
InChIInChI=1S/C17H31N3O/c1-5-8-18-15(4)17-7-6-9-20(17)13-16-12-19(14(2)3)10-11-21-16/h6-7,9,14-16,18H,5,8,10-13H2,1-4H3
InChIKeySYQOZGGIAIVSKP-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.66
Rot. Bonds7

About N-[1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine

N-[1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine (PubChem CID 79108697) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is N-[1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
PubChem CID79108697
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC NameN-[1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccn1CC1CN(C(C)C)CCO1
InChIInChI=1S/C17H31N3O/c1-5-8-18-15(4)17-7-6-9-20(17)13-16-12-19(14(2)3)10-11-21-16/h6-7,9,14-16,18H,5,8,10-13H2,1-4H3
InChIKeySYQOZGGIAIVSKP-UHFFFAOYSA-N
XLogP2.66
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine (CID 79108697) is N-[1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1cccn1CC1CN(C(C)C)CCO1.
What is the InChIKey of N-[1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine?
The InChIKey is SYQOZGGIAIVSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-8-18-15(4)17-7-6-9-20(17)13-16-12-19(14(2)3)10-11-21-16/h6-7,9,14-16,18H,5,8,10-13H2,1-4H3.
What are the key properties of N-[1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine?
N-[1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine has a molecular weight of 293.46 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 79108697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).