2-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)octan-1-amine

C17H35N3O — CID 63169684

IUPAC2-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)octan-1-amine
SMILESCCCCCCC(C)(CN)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C17H35N3O/c1-3-4-5-6-8-17(2,15-18)20-9-7-16(14-20)19-10-12-21-13-11-19/h16H,3-15,18H2,1-2H3
InChIKeyWCETWUVCTZYDRE-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.08
Rot. Bonds8

About 2-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)octan-1-amine

2-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)octan-1-amine (PubChem CID 63169684) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 2-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)octan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)octan-1-amine
PubChem CID63169684
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name2-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)octan-1-amine
SMILESCCCCCCC(C)(CN)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C17H35N3O/c1-3-4-5-6-8-17(2,15-18)20-9-7-16(14-20)19-10-12-21-13-11-19/h16H,3-15,18H2,1-2H3
InChIKeyWCETWUVCTZYDRE-UHFFFAOYSA-N
XLogP2.08
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-amine
CID 79175486
2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine
CID 103531540
2-methyl-2-(2-methylmorpholin-4-yl)nonan-1-amine
CID 43130140
2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine
CID 103494824
2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine
CID 63465793
4-(1-tert-butylpyrrolidin-3-yl)morpholine
CID 58364982
2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine
CID 80557657
4-(5-methyldodecan-5-yl)morpholine
CID 138551223
2-(2,6-dimethylmorpholin-4-yl)-2-methyloctan-1-amine
CID 43089493
2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine
CID 80557534
1-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-2-amine
CID 63534762
2-methyl-2-morpholin-4-ylpentan-1-amine
CID 24706216

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)octan-1-amine?
The IUPAC name of 2-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)octan-1-amine (CID 63169684) is 2-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)octan-1-amine.
What is the SMILES notation for 2-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)octan-1-amine?
The canonical SMILES for 2-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)octan-1-amine is CCCCCCC(C)(CN)N1CCC(N2CCOCC2)C1.
What is the InChIKey of 2-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)octan-1-amine?
The InChIKey is WCETWUVCTZYDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-3-4-5-6-8-17(2,15-18)20-9-7-16(14-20)19-10-12-21-13-11-19/h16H,3-15,18H2,1-2H3.
What are the key properties of 2-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)octan-1-amine?
2-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)octan-1-amine has a molecular weight of 297.49 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)octan-1-amine is sourced from PubChem (CID 63169684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).