2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,2-N-dimethyl-4-propylcyclohexane-1,2-diamine

C18H37N3 — CID 105414353

IUPAC2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,2-N-dimethyl-4-propylcyclohexane-1,2-diamine
SMILESCCCC1CCC(NC)C(N(C)CC2(N(C)C)CCC2)C1
InChIInChI=1S/C18H37N3/c1-6-8-15-9-10-16(19-2)17(13-15)21(5)14-18(20(3)4)11-7-12-18/h15-17,19H,6-14H2,1-5H3
InChIKeyVRBNMUMFUJKUKZ-UHFFFAOYSA-N
MW295.52 g/mol
LogP2.96
Rot. Bonds7

About 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,2-N-dimethyl-4-propylcyclohexane-1,2-diamine

2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,2-N-dimethyl-4-propylcyclohexane-1,2-diamine (PubChem CID 105414353) has the molecular formula C18H37N3 and a molecular weight of 295.52 g/mol. Its IUPAC name is 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,2-N-dimethyl-4-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,2-N-dimethyl-4-propylcyclohexane-1,2-diamine
PubChem CID105414353
Molecular FormulaC18H37N3
Molecular Weight295.52 g/mol
Exact Mass295.30
IUPAC Name2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,2-N-dimethyl-4-propylcyclohexane-1,2-diamine
SMILESCCCC1CCC(NC)C(N(C)CC2(N(C)C)CCC2)C1
InChIInChI=1S/C18H37N3/c1-6-8-15-9-10-16(19-2)17(13-15)21(5)14-18(20(3)4)11-7-12-18/h15-17,19H,6-14H2,1-5H3
InChIKeyVRBNMUMFUJKUKZ-UHFFFAOYSA-N
XLogP2.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,2-N-dimethyl-4-propylcyclohexane-1,2-diamine with MolForge

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Related Compounds

2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 105414322
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
2-N-cyclohexyl-2-N-ethyl-1-N-methyl-4-propylcyclohexane-1,2-diamine
CID 63465286
2-N-cyclopropyl-1-N-methyl-2-N-(3-methylbutyl)-4-propylcyclohexane-1,2-diamine
CID 78944026
4-ethyl-1-N,2-N-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1,2-diamine
CID 63233434
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
N-methyl-2-[[methyl(propan-2-yl)amino]methyl]-4-propylcyclohexan-1-amine
CID 55093934
2-[[butyl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 62616762
2-N-(2-ethoxyethyl)-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 81059328
2-benzyl-N-methyl-4-propylcyclohexan-1-amine
CID 63403724

Frequently Asked Questions

What is the IUPAC name of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,2-N-dimethyl-4-propylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,2-N-dimethyl-4-propylcyclohexane-1,2-diamine (CID 105414353) is 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,2-N-dimethyl-4-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,2-N-dimethyl-4-propylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,2-N-dimethyl-4-propylcyclohexane-1,2-diamine is CCCC1CCC(NC)C(N(C)CC2(N(C)C)CCC2)C1.
What is the InChIKey of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,2-N-dimethyl-4-propylcyclohexane-1,2-diamine?
The InChIKey is VRBNMUMFUJKUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-6-8-15-9-10-16(19-2)17(13-15)21(5)14-18(20(3)4)11-7-12-18/h15-17,19H,6-14H2,1-5H3.
What are the key properties of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,2-N-dimethyl-4-propylcyclohexane-1,2-diamine?
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,2-N-dimethyl-4-propylcyclohexane-1,2-diamine has a molecular weight of 295.52 g/mol, XLogP of 2.96, 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]-1-N,2-N-dimethyl-4-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 105414353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).