2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-2-N-methylbutane-1,2-diamine

C14H31N3 — CID 105413918

IUPAC2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
SMILESCCC(CC)(CN)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C14H31N3/c1-6-13(7-2,11-15)17(5)12-14(16(3)4)9-8-10-14/h6-12,15H2,1-5H3
InChIKeyQPPHZHQMLTUAJP-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.92
Rot. Bonds7

About 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-2-N-methylbutane-1,2-diamine

2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-2-N-methylbutane-1,2-diamine (PubChem CID 105413918) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-2-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
PubChem CID105413918
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
SMILESCCC(CC)(CN)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C14H31N3/c1-6-13(7-2,11-15)17(5)12-14(16(3)4)9-8-10-14/h6-12,15H2,1-5H3
InChIKeyQPPHZHQMLTUAJP-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-2-N-methylbutane-1,2-diamine 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-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-2-propylpentane-1,2-diamine
CID 105414133
2-N-(cyclobutylmethyl)-2-ethyl-2-N-methylbutane-1,2-diamine
CID 62860217
1-[[[2-(bromomethyl)-2-ethylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416257
N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N'-methylbutane-1,4-diamine
CID 105421320
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine
CID 105413759
1-[[1-(dimethylamino)cyclobutyl]methyl]-1,2-dimethylguanidine
CID 105418711
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(N'-hydroxycarbamimidoyl)-N,2-dimethylbutanamide
CID 105419946
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethanesulfonamide
CID 105420670
N,N-dimethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine
CID 176568551
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propanamide
CID 105416404
1-[[[1-(ethylaminomethyl)cyclopentyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105417297
2-N-[(3,3-difluorocyclopentyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
CID 114223672

Frequently Asked Questions

What is the IUPAC name of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-2-N-methylbutane-1,2-diamine?
The IUPAC name of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-2-N-methylbutane-1,2-diamine (CID 105413918) is 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-2-N-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-2-N-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-2-N-methylbutane-1,2-diamine is CCC(CC)(CN)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-2-N-methylbutane-1,2-diamine?
The InChIKey is QPPHZHQMLTUAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-6-13(7-2,11-15)17(5)12-14(16(3)4)9-8-10-14/h6-12,15H2,1-5H3.
What are the key properties of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-2-N-methylbutane-1,2-diamine?
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-2-N-methylbutane-1,2-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-2-N-methylbutane-1,2-diamine is sourced from PubChem (CID 105413918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).