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

C16H33N3O — CID 63167863

IUPAC4-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCC(C)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C16H33N3O/c1-14(2)17-7-4-5-15(3)19-8-6-16(13-19)18-9-11-20-12-10-18/h14-17H,4-13H2,1-3H3
InChIKeyOECDFHCSXBVDHL-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.56
Rot. Bonds7

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

4-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine (PubChem CID 63167863) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 4-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name4-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine
PubChem CID63167863
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name4-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCC(C)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C16H33N3O/c1-14(2)17-7-4-5-15(3)19-8-6-16(13-19)18-9-11-20-12-10-18/h14-17H,4-13H2,1-3H3
InChIKeyOECDFHCSXBVDHL-UHFFFAOYSA-N
XLogP1.56
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.56
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

N-[2-(3-morpholin-4-ylpyrrolidin-1-yl)propyl]cyclopentanamine
CID 63167933
2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 63167437
3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine
CID 63539561
N-(3-methoxypropyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-amine
CID 63167885
N,N-dimethyl-1-[5-(propan-2-ylamino)pentan-2-yl]pyrrolidin-3-amine
CID 55158377
methyl 3-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
CID 55159943
4-(2-methylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine
CID 62439294
methyl 2-(3-morpholin-4-ylpyrrolidin-1-yl)propanoate
CID 63170571
2-(3-morpholin-4-ylpyrrolidin-1-yl)propanamide
CID 63171230
2-(ethylamino)-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-ol
CID 64790693
N-ethyl-3-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-amine
CID 63167734
formic acid;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine
CID 169177347

Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 4-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine (CID 63167863) is 4-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 4-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 4-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine is CC(C)NCCCC(C)N1CCC(N2CCOCC2)C1.
What is the InChIKey of 4-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine?
The InChIKey is OECDFHCSXBVDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-14(2)17-7-4-5-15(3)19-8-6-16(13-19)18-9-11-20-12-10-18/h14-17H,4-13H2,1-3H3.
What are the key properties of 4-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine?
4-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 63167863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).