2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol

C14H28N2O — CID 103277762

IUPAC2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol
SMILESCC1=CC(C)CC(C(CO)NCCN(C)C)C1
InChIInChI=1S/C14H28N2O/c1-11-7-12(2)9-13(8-11)14(10-17)15-5-6-16(3)4/h7,11,13-15,17H,5-6,8-10H2,1-4H3
InChIKeyNBTSSIAEBICDJQ-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.49
Rot. Bonds6

About 2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol

2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol (PubChem CID 103277762) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol
PubChem CID103277762
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol
SMILESCC1=CC(C)CC(C(CO)NCCN(C)C)C1
InChIInChI=1S/C14H28N2O/c1-11-7-12(2)9-13(8-11)14(10-17)15-5-6-16(3)4/h7,11,13-15,17H,5-6,8-10H2,1-4H3
InChIKeyNBTSSIAEBICDJQ-UHFFFAOYSA-N
XLogP1.49
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol (CID 103277762) is 2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol is CC1=CC(C)CC(C(CO)NCCN(C)C)C1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol?
The InChIKey is NBTSSIAEBICDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11-7-12(2)9-13(8-11)14(10-17)15-5-6-16(3)4/h7,11,13-15,17H,5-6,8-10H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol?
2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol has a molecular weight of 240.39 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-2-(3,5-dimethylcyclohex-3-en-1-yl)ethanol is sourced from PubChem (CID 103277762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).