2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine

C17H35N3 — CID 105414322

IUPAC2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine
SMILESCCC1CCC(NC)C(N(C)CC2(N(C)C)CCC2)C1
InChIInChI=1S/C17H35N3/c1-6-14-8-9-15(18-2)16(12-14)20(5)13-17(19(3)4)10-7-11-17/h14-16,18H,6-13H2,1-5H3
InChIKeyOQOMATPKBMUSGU-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.57
Rot. Bonds6

About 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine

2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine (PubChem CID 105414322) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine
PubChem CID105414322
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine
SMILESCCC1CCC(NC)C(N(C)CC2(N(C)C)CCC2)C1
InChIInChI=1S/C17H35N3/c1-6-14-8-9-15(18-2)16(12-14)20(5)13-17(19(3)4)10-7-11-17/h14-16,18H,6-13H2,1-5H3
InChIKeyOQOMATPKBMUSGU-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-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]-1-N,2-N-dimethyl-4-propylcyclohexane-1,2-diamine
CID 105414353
4-ethyl-1-N,2-N-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1,2-diamine
CID 63233434
2-N-(2-ethoxyethyl)-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 81059328
1-[[(4-ethylpiperidin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105421244
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpiperidin-4-amine
CID 105414829
1-[[[2-[(cyclopropylamino)methyl]cyclobutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105418059
2-N-(4-ethylcyclohexyl)-1-N,2-N-dimethylcyclooctane-1,2-diamine
CID 63469418
1-N,2-N-dimethyl-4-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine
CID 63206871
1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-4-propylcyclohexane-1,2-diamine
CID 79314207
4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]cyclohexan-1-amine
CID 105421357
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propylcyclohexan-1-amine
CID 105417254
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-ethyloxan-4-amine
CID 103061010

Frequently Asked Questions

What is the IUPAC name of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine (CID 105414322) is 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine is CCC1CCC(NC)C(N(C)CC2(N(C)C)CCC2)C1.
What is the InChIKey of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine?
The InChIKey is OQOMATPKBMUSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-6-14-8-9-15(18-2)16(12-14)20(5)13-17(19(3)4)10-7-11-17/h14-16,18H,6-13H2,1-5H3.
What are the key properties of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine?
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine has a molecular weight of 281.49 g/mol, XLogP of 2.57, 6 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]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 105414322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).