N-(4-ethoxybutyl)-1-propan-2-ylpyrrolidin-3-amine

C13H28N2O — CID 115688879

IUPACN-(4-ethoxybutyl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCCOCCCCNC1CCN(C(C)C)C1
InChIInChI=1S/C13H28N2O/c1-4-16-10-6-5-8-14-13-7-9-15(11-13)12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyNJOGULFXMBRNDY-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds8

About N-(4-ethoxybutyl)-1-propan-2-ylpyrrolidin-3-amine

N-(4-ethoxybutyl)-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 115688879) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(4-ethoxybutyl)-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(4-ethoxybutyl)-1-propan-2-ylpyrrolidin-3-amine
PubChem CID115688879
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(4-ethoxybutyl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCCOCCCCNC1CCN(C(C)C)C1
InChIInChI=1S/C13H28N2O/c1-4-16-10-6-5-8-14-13-7-9-15(11-13)12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyNJOGULFXMBRNDY-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
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

N-hex-5-ynyl-1-propan-2-ylpyrrolidin-3-amine
CID 115694258
6-[(1-propan-2-ylpyrrolidin-3-yl)amino]hexan-3-ol
CID 115689573
2-methyl-5-[(1-propan-2-ylpyrrolidin-3-yl)amino]pentan-1-ol
CID 103859417
2-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]ethanol
CID 147943395
N-(3-methoxypropyl)-1-propan-2-ylpiperidin-4-amine
CID 28673243
N-(2-ethylsulfinylethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 115689185
N-(4-methylpentyl)-1-propan-2-ylpiperidin-4-amine
CID 61043784
N-(4-ethoxybutyl)cycloheptanamine
CID 112730026
4-[(1-propan-2-ylpiperidin-4-yl)amino]butan-1-ol
CID 106840759
3-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]propanoic acid
CID 94057936
1-propan-2-yl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrrolidin-3-amine
CID 115689748
N-octyl-1-propan-2-ylazepan-4-amine
CID 115566933

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxybutyl)-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of N-(4-ethoxybutyl)-1-propan-2-ylpyrrolidin-3-amine (CID 115688879) is N-(4-ethoxybutyl)-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-(4-ethoxybutyl)-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-(4-ethoxybutyl)-1-propan-2-ylpyrrolidin-3-amine is CCOCCCCNC1CCN(C(C)C)C1.
What is the InChIKey of N-(4-ethoxybutyl)-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is NJOGULFXMBRNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-16-10-6-5-8-14-13-7-9-15(11-13)12(2)3/h12-14H,4-11H2,1-3H3.
What are the key properties of N-(4-ethoxybutyl)-1-propan-2-ylpyrrolidin-3-amine?
N-(4-ethoxybutyl)-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxybutyl)-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 115688879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).