1-(3,3-diethylpyrrolidin-1-yl)-5-methoxypentan-2-amine

C14H30N2O — CID 81100821

IUPAC1-(3,3-diethylpyrrolidin-1-yl)-5-methoxypentan-2-amine
SMILESCCC1(CC)CCN(CC(N)CCCOC)C1
InChIInChI=1S/C14H30N2O/c1-4-14(5-2)8-9-16(12-14)11-13(15)7-6-10-17-3/h13H,4-12,15H2,1-3H3
InChIKeyNHCPDXABGLLXPB-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.25
Rot. Bonds8

About 1-(3,3-diethylpyrrolidin-1-yl)-5-methoxypentan-2-amine

1-(3,3-diethylpyrrolidin-1-yl)-5-methoxypentan-2-amine (PubChem CID 81100821) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-(3,3-diethylpyrrolidin-1-yl)-5-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(3,3-diethylpyrrolidin-1-yl)-5-methoxypentan-2-amine
PubChem CID81100821
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-(3,3-diethylpyrrolidin-1-yl)-5-methoxypentan-2-amine
SMILESCCC1(CC)CCN(CC(N)CCCOC)C1
InChIInChI=1S/C14H30N2O/c1-4-14(5-2)8-9-16(12-14)11-13(15)7-6-10-17-3/h13H,4-12,15H2,1-3H3
InChIKeyNHCPDXABGLLXPB-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4,4-diethylpiperidin-1-yl)-4-methoxybutan-2-amine
CID 55159302
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methoxypentan-2-amine
CID 81102152
1-methoxyheptan-4-amine
CID 43370439
5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-2-amine
CID 81102007
1-(3-ethyl-4-methylpiperazin-1-yl)-4-methoxybutan-2-amine
CID 63621254
1-(4,4-diethylpiperidin-1-yl)-3-phenylpropan-2-amine
CID 63161280
1-cyclopropyl-2-(4,4-diethylpiperidin-1-yl)ethanamine
CID 63913044
4-(4,4-diethylpiperidin-1-yl)butan-2-amine
CID 63160822
1-(8-azaspiro[4.5]decan-8-yl)-3-methoxypropan-2-amine
CID 81100930
4-methoxy-1-(4-methylpiperidin-1-yl)butan-2-amine
CID 62477662
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-methoxypentan-2-amine
CID 102726953
2-(3,3-diethylpyrrolidin-1-yl)-1-(2,5-difluorophenyl)ethanamine
CID 107521756

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diethylpyrrolidin-1-yl)-5-methoxypentan-2-amine?
The IUPAC name of 1-(3,3-diethylpyrrolidin-1-yl)-5-methoxypentan-2-amine (CID 81100821) is 1-(3,3-diethylpyrrolidin-1-yl)-5-methoxypentan-2-amine.
What is the SMILES notation for 1-(3,3-diethylpyrrolidin-1-yl)-5-methoxypentan-2-amine?
The canonical SMILES for 1-(3,3-diethylpyrrolidin-1-yl)-5-methoxypentan-2-amine is CCC1(CC)CCN(CC(N)CCCOC)C1.
What is the InChIKey of 1-(3,3-diethylpyrrolidin-1-yl)-5-methoxypentan-2-amine?
The InChIKey is NHCPDXABGLLXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-14(5-2)8-9-16(12-14)11-13(15)7-6-10-17-3/h13H,4-12,15H2,1-3H3.
What are the key properties of 1-(3,3-diethylpyrrolidin-1-yl)-5-methoxypentan-2-amine?
1-(3,3-diethylpyrrolidin-1-yl)-5-methoxypentan-2-amine has a molecular weight of 242.41 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethylpyrrolidin-1-yl)-5-methoxypentan-2-amine is sourced from PubChem (CID 81100821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).