N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-pyrrolidin-1-ylaniline

C18H28N2O — CID 64852505

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-4-pyrrolidin-1-ylaniline
SMILESCCOC1CC(Nc2ccc(N3CCCC3)cc2)C1(C)C
InChIInChI=1S/C18H28N2O/c1-4-21-17-13-16(18(17,2)3)19-14-7-9-15(10-8-14)20-11-5-6-12-20/h7-10,16-17,19H,4-6,11-13H2,1-3H3
InChIKeyASULOMMDEGWOHX-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.90
Rot. Bonds5

About N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-pyrrolidin-1-ylaniline

N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-pyrrolidin-1-ylaniline (PubChem CID 64852505) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-4-pyrrolidin-1-ylaniline
PubChem CID64852505
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-4-pyrrolidin-1-ylaniline
SMILESCCOC1CC(Nc2ccc(N3CCCC3)cc2)C1(C)C
InChIInChI=1S/C18H28N2O/c1-4-21-17-13-16(18(17,2)3)19-14-7-9-15(10-8-14)20-11-5-6-12-20/h7-10,16-17,19H,4-6,11-13H2,1-3H3
InChIKeyASULOMMDEGWOHX-UHFFFAOYSA-N
XLogP3.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-pyrrolidin-1-ylpyridin-3-amine
CID 64850342
2-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]ethanol
CID 64850757
N-(3-ethoxy-2,2-dimethylcyclobutyl)-3,4-dimethylaniline
CID 64850915
6-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine
CID 114051597
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 64850321
2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenol
CID 107678106
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylaniline
CID 64852282
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-fluoroaniline
CID 64851695
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylpyrimidin-4-amine
CID 103703320
4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]benzoic acid
CID 64852146
N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64863463
(1R,3S)-3-ethoxy-N-(4-nitrophenyl)spiro[3.4]octan-1-amine
CID 97044550

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-pyrrolidin-1-ylaniline?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-pyrrolidin-1-ylaniline (CID 64852505) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-pyrrolidin-1-ylaniline?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-pyrrolidin-1-ylaniline is CCOC1CC(Nc2ccc(N3CCCC3)cc2)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-pyrrolidin-1-ylaniline?
The InChIKey is ASULOMMDEGWOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-21-17-13-16(18(17,2)3)19-14-7-9-15(10-8-14)20-11-5-6-12-20/h7-10,16-17,19H,4-6,11-13H2,1-3H3.
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-pyrrolidin-1-ylaniline?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-pyrrolidin-1-ylaniline has a molecular weight of 288.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 64852505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).