2-N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C17H37N3 — CID 103191271

IUPAC2-N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CC1CC(C)(C)CCC1NC)C(C)CN(C)C
InChIInChI=1S/C17H37N3/c1-8-20(14(2)12-19(6)7)13-15-11-17(3,4)10-9-16(15)18-5/h14-16,18H,8-13H2,1-7H3
InChIKeyUSHBQOOMHHMXHO-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.67
Rot. Bonds7

About 2-N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103191271) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 2-N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103191271
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name2-N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CC1CC(C)(C)CCC1NC)C(C)CN(C)C
InChIInChI=1S/C17H37N3/c1-8-20(14(2)12-19(6)7)13-15-11-17(3,4)10-9-16(15)18-5/h14-16,18H,8-13H2,1-7H3
InChIKeyUSHBQOOMHHMXHO-UHFFFAOYSA-N
XLogP2.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine with MolForge

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Related Compounds

2-N-[(2-amino-5,5-dimethylcyclohexyl)methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191308
N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-N-methyloxolan-3-amine
CID 82743148
2-N-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191408
2-N-ethyl-1-N,4,4-trimethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine
CID 79478118
2-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486962
4,4-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-amine
CID 79490016
2-[[ethyl(propan-2-yl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 62614852
2-[[butan-2-yl(ethyl)amino]methyl]-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63483811
1-[[[2-(ethylamino)-5,5-dimethylcyclohexyl]methyl-methylamino]methyl]cyclopentan-1-ol
CID 114953487
2-N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191382
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-2-N,3-dimethylbutane-1,2-diamine
CID 103188488
2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-[(2-methylcyclohexyl)amino]ethyl]propane-1,2-diamine
CID 103191827

Frequently Asked Questions

What is the IUPAC name of 2-N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103191271) is 2-N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(CC1CC(C)(C)CCC1NC)C(C)CN(C)C.
What is the InChIKey of 2-N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is USHBQOOMHHMXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-8-20(14(2)12-19(6)7)13-15-11-17(3,4)10-9-16(15)18-5/h14-16,18H,8-13H2,1-7H3.
What are the key properties of 2-N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 283.50 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[5,5-dimethyl-2-(methylamino)cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103191271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).