2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine

C14H29N3O — CID 63167437

IUPAC2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine
SMILESCCCNCC(C)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H29N3O/c1-3-5-15-11-13(2)17-6-4-14(12-17)16-7-9-18-10-8-16/h13-15H,3-12H2,1-2H3
InChIKeyHLDJHEJVSBPXIZ-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.78
Rot. Bonds6

About 2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine

2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine (PubChem CID 63167437) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine
PubChem CID63167437
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine
SMILESCCCNCC(C)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H29N3O/c1-3-5-15-11-13(2)17-6-4-14(12-17)16-7-9-18-10-8-16/h13-15H,3-12H2,1-2H3
InChIKeyHLDJHEJVSBPXIZ-UHFFFAOYSA-N
XLogP0.78
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxypropyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-amine
CID 63167885
3-methoxy-2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 103226527
N-[2-(3-morpholin-4-ylpyrrolidin-1-yl)propyl]cyclopentanamine
CID 63167933
N-ethyl-3-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine
CID 63167734
4-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine
CID 63167863
3-methyl-N-propyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine
CID 63167252
methyl 3-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
CID 55159943
2-(ethylamino)-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol
CID 64790693
formic acid;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine
CID 169177347
N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 64706614
2-(3-ethylpiperidin-1-yl)-N-propylpropan-1-amine
CID 62433605
3-(3-morpholin-4-ylpyrrolidin-1-yl)heptan-4-amine
CID 63169744

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine (CID 63167437) is 2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine is CCCNCC(C)N1CCC(N2CCOCC2)C1.
What is the InChIKey of 2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine?
The InChIKey is HLDJHEJVSBPXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-5-15-11-13(2)17-6-4-14(12-17)16-7-9-18-10-8-16/h13-15H,3-12H2,1-2H3.
What are the key properties of 2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine?
2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine has a molecular weight of 255.41 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 63167437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).