4-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylaniline

C17H28N2 — CID 105151653

IUPAC4-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylaniline
SMILESCCCNC(CC1CCC1)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H28N2/c1-4-12-18-17(13-14-6-5-7-14)15-8-10-16(11-9-15)19(2)3/h8-11,14,17-18H,4-7,12-13H2,1-3H3
InChIKeyMRIPZUOHVVGKNZ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.98
Rot. Bonds7

About 4-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylaniline

4-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylaniline (PubChem CID 105151653) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylaniline
PubChem CID105151653
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylaniline
SMILESCCCNC(CC1CCC1)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H28N2/c1-4-12-18-17(13-14-6-5-7-14)15-8-10-16(11-9-15)19(2)3/h8-11,14,17-18H,4-7,12-13H2,1-3H3
InChIKeyMRIPZUOHVVGKNZ-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclobutyl-1-pyridin-4-ylethyl)propan-1-amine
CID 65457651
N-[1-(4-butylphenyl)-2-cyclobutylethyl]propan-1-amine
CID 103162968
N-[1-(4-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 116506358
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602
4-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline
CID 105176331
N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 43493979
N-[1-(4-chloro-3-fluorophenyl)-2-cyclobutylethyl]propan-1-amine
CID 107993397
N-[1-(3-bromo-4-methylphenyl)-2-cyclopentylethyl]propan-1-amine
CID 115847441
4-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylaniline
CID 105165096
N-[2-cyclobutyl-1-(cyclopenten-1-yl)ethyl]propan-1-amine
CID 103163068
4-[2-(furan-2-yl)-1-(propylamino)ethyl]-N,N-dimethylaniline
CID 105177373
N-[2-cyclobutyl-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 79522643

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylaniline (CID 105151653) is 4-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylaniline is CCCNC(CC1CCC1)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylaniline?
The InChIKey is MRIPZUOHVVGKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-12-18-17(13-14-6-5-7-14)15-8-10-16(11-9-15)19(2)3/h8-11,14,17-18H,4-7,12-13H2,1-3H3.
What are the key properties of 4-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylaniline?
4-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylaniline has a molecular weight of 260.43 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 105151653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).