N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5-trimethylcyclohexan-1-amine

C15H32N2O — CID 113357739

IUPACN-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5-trimethylcyclohexan-1-amine
SMILESCC1CC(NCCOCCN(C)C)CC(C)(C)C1
InChIInChI=1S/C15H32N2O/c1-13-10-14(12-15(2,3)11-13)16-6-8-18-9-7-17(4)5/h13-14,16H,6-12H2,1-5H3
InChIKeyVAWCJRWVFROVEY-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.37
Rot. Bonds7

About N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5-trimethylcyclohexan-1-amine

N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5-trimethylcyclohexan-1-amine (PubChem CID 113357739) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5-trimethylcyclohexan-1-amine
PubChem CID113357739
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5-trimethylcyclohexan-1-amine
SMILESCC1CC(NCCOCCN(C)C)CC(C)(C)C1
InChIInChI=1S/C15H32N2O/c1-13-10-14(12-15(2,3)11-13)16-6-8-18-9-7-17(4)5/h13-14,16H,6-12H2,1-5H3
InChIKeyVAWCJRWVFROVEY-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'}

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Related Compounds

N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103080762
trans-(1S,5R)-N-(3-ethoxypropyl)-3,3,5-trimethylcyclohexan-1-amine
CID 8024888
N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine
CID 60887199
N-[3-(cyclopropylmethoxy)propyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43081894
N',N'-dimethyl-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]ethane-1,2-diamine
CID 62598860
(2S)-1-[(3,3,5-trimethylcyclohexyl)amino]propan-2-ol
CID 103884021
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,2-dimethylpiperidin-4-amine
CID 107094111
N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxycyclohexan-1-amine
CID 107094281
tert-butyl N-ethyl-N-[2-[(3,3,5-trimethylcyclohexyl)amino]ethyl]carbamate
CID 107245391
4-[(3,3,5-trimethylcyclohexyl)amino]butane-1-sulfonic acid
CID 146217764
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 103096650
4,4-dimethyl-1-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65115104

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5-trimethylcyclohexan-1-amine (CID 113357739) is N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5-trimethylcyclohexan-1-amine is CC1CC(NCCOCCN(C)C)CC(C)(C)C1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5-trimethylcyclohexan-1-amine?
The InChIKey is VAWCJRWVFROVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-13-10-14(12-15(2,3)11-13)16-6-8-18-9-7-17(4)5/h13-14,16H,6-12H2,1-5H3.
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5-trimethylcyclohexan-1-amine?
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5-trimethylcyclohexan-1-amine 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-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 113357739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).