3-(diethylaminomethyl)-N-(3-propan-2-ylcyclobutyl)aniline

C18H30N2 — CID 103561413

IUPAC3-(diethylaminomethyl)-N-(3-propan-2-ylcyclobutyl)aniline
SMILESCCN(CC)Cc1cccc(NC2CC(C(C)C)C2)c1
InChIInChI=1S/C18H30N2/c1-5-20(6-2)13-15-8-7-9-17(10-15)19-18-11-16(12-18)14(3)4/h7-10,14,16,18-19H,5-6,11-13H2,1-4H3
InChIKeyXESKKBHNXYGAPI-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.37
Rot. Bonds7

About 3-(diethylaminomethyl)-N-(3-propan-2-ylcyclobutyl)aniline

3-(diethylaminomethyl)-N-(3-propan-2-ylcyclobutyl)aniline (PubChem CID 103561413) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 3-(diethylaminomethyl)-N-(3-propan-2-ylcyclobutyl)aniline.

Molecular Properties

Compound Name3-(diethylaminomethyl)-N-(3-propan-2-ylcyclobutyl)aniline
PubChem CID103561413
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name3-(diethylaminomethyl)-N-(3-propan-2-ylcyclobutyl)aniline
SMILESCCN(CC)Cc1cccc(NC2CC(C(C)C)C2)c1
InChIInChI=1S/C18H30N2/c1-5-20(6-2)13-15-8-7-9-17(10-15)19-18-11-16(12-18)14(3)4/h7-10,14,16,18-19H,5-6,11-13H2,1-4H3
InChIKeyXESKKBHNXYGAPI-UHFFFAOYSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[3-[3-(diethylaminomethyl)anilino]cyclobutyl]carbamate
CID 113256335
3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline
CID 103560797
3-butan-2-yloxy-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561868
N-[3-(diethylaminomethyl)phenyl]-2-methylthiolan-3-amine
CID 102671075
3-(diethylaminomethyl)-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662084
3-(diethylaminomethyl)-N-(2-methoxycyclohexyl)aniline
CID 43787408
tert-butyl N-[[3-[(3-propan-2-ylcyclobutyl)amino]phenyl]methyl]carbamate
CID 107244643
N,N-dimethyl-3-[(3-propan-2-ylcyclobutyl)amino]benzenesulfonamide
CID 103561319
2-[[3-(diethylaminomethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941731
3-[3-[(3-propan-2-ylcyclohexyl)amino]phenyl]propan-1-ol
CID 107448741
1-N-[3-(diethylaminomethyl)phenyl]-4-methylpentane-1,2-diamine
CID 83962592
N-methyl-N-[[3-[(3-methylcyclobutyl)amino]phenyl]methyl]acetamide
CID 104860066

Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)-N-(3-propan-2-ylcyclobutyl)aniline?
The IUPAC name of 3-(diethylaminomethyl)-N-(3-propan-2-ylcyclobutyl)aniline (CID 103561413) is 3-(diethylaminomethyl)-N-(3-propan-2-ylcyclobutyl)aniline.
What is the SMILES notation for 3-(diethylaminomethyl)-N-(3-propan-2-ylcyclobutyl)aniline?
The canonical SMILES for 3-(diethylaminomethyl)-N-(3-propan-2-ylcyclobutyl)aniline is CCN(CC)Cc1cccc(NC2CC(C(C)C)C2)c1.
What is the InChIKey of 3-(diethylaminomethyl)-N-(3-propan-2-ylcyclobutyl)aniline?
The InChIKey is XESKKBHNXYGAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-20(6-2)13-15-8-7-9-17(10-15)19-18-11-16(12-18)14(3)4/h7-10,14,16,18-19H,5-6,11-13H2,1-4H3.
What are the key properties of 3-(diethylaminomethyl)-N-(3-propan-2-ylcyclobutyl)aniline?
3-(diethylaminomethyl)-N-(3-propan-2-ylcyclobutyl)aniline has a molecular weight of 274.45 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)-N-(3-propan-2-ylcyclobutyl)aniline is sourced from PubChem (CID 103561413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).