3-(aminomethyl)-6-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-3-ol

C15H31N3O2 — CID 106811330

IUPAC3-(aminomethyl)-6-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-3-ol
SMILESCCC(O)(CN)CCCN1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H31N3O2/c1-2-15(19,13-16)5-3-6-17-7-4-14(12-17)18-8-10-20-11-9-18/h14,19H,2-13,16H2,1H3
InChIKeyOPCJBEHHFAPICW-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.27
Rot. Bonds7

About 3-(aminomethyl)-6-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-3-ol

3-(aminomethyl)-6-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-3-ol (PubChem CID 106811330) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-6-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-3-ol
PubChem CID106811330
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name3-(aminomethyl)-6-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-3-ol
SMILESCCC(O)(CN)CCCN1CCC(N2CCOCC2)C1
InChIInChI=1S/C15H31N3O2/c1-2-15(19,13-16)5-3-6-17-7-4-14(12-17)18-8-10-20-11-9-18/h14,19H,2-13,16H2,1H3
InChIKeyOPCJBEHHFAPICW-UHFFFAOYSA-N
XLogP0.27
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-2-(methylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol
CID 64792103
2-Amino-2-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-1-ol
CID 64792493
1-Amino-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-2-ol
CID 64818499
1-Amino-2-cyclopropyl-3-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol
CID 64818501
1-Amino-5-(2,5-dimethylmorpholin-4-yl)-2-methylpentan-2-ol
CID 64818651
1-Amino-5-(5-ethyl-2-methylmorpholin-4-yl)-2-methylpentan-2-ol
CID 64819347
1-Amino-5-(3-ethylmorpholin-4-yl)-2-methylpentan-2-ol
CID 64821117
1-Amino-2-methyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-2-ol
CID 64821402
1-Amino-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butan-2-ol
CID 64821628
1-Amino-2-methyl-5-(3-methylmorpholin-4-yl)pentan-2-ol
CID 64821781
1-Amino-2-methyl-3-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol
CID 64821854
1-Amino-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-2-ol
CID 64821855

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-3-ol?
The IUPAC name of 3-(aminomethyl)-6-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-3-ol (CID 106811330) is 3-(aminomethyl)-6-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-3-ol.
What is the SMILES notation for 3-(aminomethyl)-6-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-3-ol?
The canonical SMILES for 3-(aminomethyl)-6-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-3-ol is CCC(O)(CN)CCCN1CCC(N2CCOCC2)C1.
What is the InChIKey of 3-(aminomethyl)-6-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-3-ol?
The InChIKey is OPCJBEHHFAPICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-2-15(19,13-16)5-3-6-17-7-4-14(12-17)18-8-10-20-11-9-18/h14,19H,2-13,16H2,1H3.
What are the key properties of 3-(aminomethyl)-6-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-3-ol?
3-(aminomethyl)-6-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-3-ol has a molecular weight of 285.43 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-3-ol is sourced from PubChem (CID 106811330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).