3-[[2-(1-aminopropyl)-N-methylanilino]methyl]cyclobutan-1-ol

C15H24N2O — CID 112678195

IUPAC3-[[2-(1-aminopropyl)-N-methylanilino]methyl]cyclobutan-1-ol
SMILESCCC(N)c1ccccc1N(C)CC1CC(O)C1
InChIInChI=1S/C15H24N2O/c1-3-14(16)13-6-4-5-7-15(13)17(2)10-11-8-12(18)9-11/h4-7,11-12,14,18H,3,8-10,16H2,1-2H3
InChIKeyGMQFBHCVLFWHPP-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.30
Rot. Bonds5

About 3-[[2-(1-aminopropyl)-N-methylanilino]methyl]cyclobutan-1-ol

3-[[2-(1-aminopropyl)-N-methylanilino]methyl]cyclobutan-1-ol (PubChem CID 112678195) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[[2-(1-aminopropyl)-N-methylanilino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[2-(1-aminopropyl)-N-methylanilino]methyl]cyclobutan-1-ol
PubChem CID112678195
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[[2-(1-aminopropyl)-N-methylanilino]methyl]cyclobutan-1-ol
SMILESCCC(N)c1ccccc1N(C)CC1CC(O)C1
InChIInChI=1S/C15H24N2O/c1-3-14(16)13-6-4-5-7-15(13)17(2)10-11-8-12(18)9-11/h4-7,11-12,14,18H,3,8-10,16H2,1-2H3
InChIKeyGMQFBHCVLFWHPP-UHFFFAOYSA-N
XLogP2.30
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(1-aminopropyl)-N-methylanilino]methyl]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline
CID 103958669
2-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 103958943
2-(1-aminopropyl)-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 112678152
2-[(1S)-1-aminopropyl]-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 103958935
2-(1-aminopropyl)-N-ethyl-N-methylaniline
CID 23460228
1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678841
2-(1-aminopropyl)-N,N-dimethylaniline
CID 112704132
2-[(1S)-1-aminopropyl]-N-methyl-N-(2-methylprop-2-enyl)aniline
CID 104868604
2-[(1R)-1-aminopropyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 103959014
1-[2-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678870
2-(1-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline
CID 105415288
8-[2-[(1R)-1-aminopropyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 103958938

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-aminopropyl)-N-methylanilino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[2-(1-aminopropyl)-N-methylanilino]methyl]cyclobutan-1-ol (CID 112678195) is 3-[[2-(1-aminopropyl)-N-methylanilino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[2-(1-aminopropyl)-N-methylanilino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[2-(1-aminopropyl)-N-methylanilino]methyl]cyclobutan-1-ol is CCC(N)c1ccccc1N(C)CC1CC(O)C1.
What is the InChIKey of 3-[[2-(1-aminopropyl)-N-methylanilino]methyl]cyclobutan-1-ol?
The InChIKey is GMQFBHCVLFWHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-14(16)13-6-4-5-7-15(13)17(2)10-11-8-12(18)9-11/h4-7,11-12,14,18H,3,8-10,16H2,1-2H3.
What are the key properties of 3-[[2-(1-aminopropyl)-N-methylanilino]methyl]cyclobutan-1-ol?
3-[[2-(1-aminopropyl)-N-methylanilino]methyl]cyclobutan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-aminopropyl)-N-methylanilino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 112678195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).