N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(2,4-dimethylphenyl)-N'-methylethane-1,2-diamine

C18H31N3 — CID 105414536

IUPACN'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(2,4-dimethylphenyl)-N'-methylethane-1,2-diamine
SMILESCc1ccc(C(N)CN(C)CC2(N(C)C)CCC2)c(C)c1
InChIInChI=1S/C18H31N3/c1-14-7-8-16(15(2)11-14)17(19)12-21(5)13-18(20(3)4)9-6-10-18/h7-8,11,17H,6,9-10,12-13,19H2,1-5H3
InChIKeyINBQAYZEFZIYFL-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.72
Rot. Bonds6

About N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(2,4-dimethylphenyl)-N'-methylethane-1,2-diamine

N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(2,4-dimethylphenyl)-N'-methylethane-1,2-diamine (PubChem CID 105414536) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(2,4-dimethylphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(2,4-dimethylphenyl)-N'-methylethane-1,2-diamine
PubChem CID105414536
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(2,4-dimethylphenyl)-N'-methylethane-1,2-diamine
SMILESCc1ccc(C(N)CN(C)CC2(N(C)C)CCC2)c(C)c1
InChIInChI=1S/C18H31N3/c1-14-7-8-16(15(2)11-14)17(19)12-21(5)13-18(20(3)4)9-6-10-18/h7-8,11,17H,6,9-10,12-13,19H2,1-5H3
InChIKeyINBQAYZEFZIYFL-UHFFFAOYSA-N
XLogP2.72
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine
CID 107522113
N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 105414502
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(2,5-dimethylphenyl)ethanol
CID 105416501
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83108539
(1S)-1-(2,4-dimethylphenyl)-2-fluoroethanamine;hydrochloride
CID 171213137
2-cyclopentyl-1-(2,4-dimethylphenyl)ethanamine
CID 43825536
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
N'-cyclohexyl-1-(2,4-dimethylphenyl)-N'-ethylethane-1,2-diamine
CID 43103531
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine
CID 105413759
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,4-dimethylbenzene-1,2-diamine
CID 105414177
1-(2,4-dimethylphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82735465
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(2,4-dimethylphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(2,4-dimethylphenyl)-N'-methylethane-1,2-diamine (CID 105414536) is N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(2,4-dimethylphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(2,4-dimethylphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(2,4-dimethylphenyl)-N'-methylethane-1,2-diamine is Cc1ccc(C(N)CN(C)CC2(N(C)C)CCC2)c(C)c1.
What is the InChIKey of N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(2,4-dimethylphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is INBQAYZEFZIYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-14-7-8-16(15(2)11-14)17(19)12-21(5)13-18(20(3)4)9-6-10-18/h7-8,11,17H,6,9-10,12-13,19H2,1-5H3.
What are the key properties of N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(2,4-dimethylphenyl)-N'-methylethane-1,2-diamine?
N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(2,4-dimethylphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 289.47 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(dimethylamino)cyclobutyl]methyl]-1-(2,4-dimethylphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 105414536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).