N',N'-dimethyl-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethane-1,2-diamine

C15H32N2O — CID 62598860

IUPACN',N'-dimethyl-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethane-1,2-diamine
SMILESCC1CC(OCCNCCN(C)C)CC(C)(C)C1
InChIInChI=1S/C15H32N2O/c1-13-10-14(12-15(2,3)11-13)18-9-7-16-6-8-17(4)5/h13-14,16H,6-12H2,1-5H3
InChIKeyLRLVWFKHSIEXDW-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.37
Rot. Bonds7

About N',N'-dimethyl-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethane-1,2-diamine

N',N'-dimethyl-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethane-1,2-diamine (PubChem CID 62598860) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethane-1,2-diamine
PubChem CID62598860
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN',N'-dimethyl-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethane-1,2-diamine
SMILESCC1CC(OCCNCCN(C)C)CC(C)(C)C1
InChIInChI=1S/C15H32N2O/c1-13-10-14(12-15(2,3)11-13)18-9-7-16-6-8-17(4)5/h13-14,16H,6-12H2,1-5H3
InChIKeyLRLVWFKHSIEXDW-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N',N'-dimethyl-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethane-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-methoxy-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethanamine
CID 62599023
N-(2-methylsulfonylethyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine
CID 62597813
4-ethoxy-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]butan-1-amine
CID 62597985
2-methyl-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]butan-2-amine
CID 62598683
2-methyl-N-[3-(3,3,5-trimethylcyclohexyl)oxypropyl]propan-1-amine
CID 62455277
N-(pyridin-3-ylmethyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine
CID 62597639
3-(4-bromobutoxy)-1,1,5-trimethylcyclohexane
CID 43165211
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 113357739
N-propyl-6-(3,3,5-trimethylcyclohexyl)oxyhexan-2-amine
CID 63475619
2-(cyclopropylamino)-4-(3,3,5-trimethylcyclohexyl)oxybutan-1-ol
CID 64802320
N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-N',N'-diethylethane-1,2-diamine
CID 114342558
3-[2-(chloromethyl)prop-2-enoxy]-1,1,5-trimethylcyclohexane
CID 103066019

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethane-1,2-diamine (CID 62598860) is N',N'-dimethyl-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethane-1,2-diamine is CC1CC(OCCNCCN(C)C)CC(C)(C)C1.
What is the InChIKey of N',N'-dimethyl-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethane-1,2-diamine?
The InChIKey is LRLVWFKHSIEXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-13-10-14(12-15(2,3)11-13)18-9-7-16-6-8-17(4)5/h13-14,16H,6-12H2,1-5H3.
What are the key properties of N',N'-dimethyl-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethane-1,2-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethane-1,2-diamine is sourced from PubChem (CID 62598860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).