2-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]ethanol

C12H26N2O — CID 3017677

IUPAC2-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]ethanol
SMILESCC1(C)CC(N)CC(C)(CNCCO)C1
InChIInChI=1S/C12H26N2O/c1-11(2)6-10(13)7-12(3,8-11)9-14-4-5-15/h10,14-15H,4-9,13H2,1-3H3
InChIKeyQWLUUZCNBWLTQM-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.11
Rot. Bonds4

About 2-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]ethanol

2-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]ethanol (PubChem CID 3017677) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]ethanol
PubChem CID3017677
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]ethanol
SMILESCC1(C)CC(N)CC(C)(CNCCO)C1
InChIInChI=1S/C12H26N2O/c1-11(2)6-10(13)7-12(3,8-11)9-14-4-5-15/h10,14-15H,4-9,13H2,1-3H3
InChIKeyQWLUUZCNBWLTQM-UHFFFAOYSA-N
XLogP1.11
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]ethanol?
The IUPAC name of 2-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]ethanol (CID 3017677) is 2-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]ethanol.
What is the SMILES notation for 2-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]ethanol?
The canonical SMILES for 2-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]ethanol is CC1(C)CC(N)CC(C)(CNCCO)C1.
What is the InChIKey of 2-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]ethanol?
The InChIKey is QWLUUZCNBWLTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(2)6-10(13)7-12(3,8-11)9-14-4-5-15/h10,14-15H,4-9,13H2,1-3H3.
What are the key properties of 2-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]ethanol?
2-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]ethanol has a molecular weight of 214.35 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]ethanol is sourced from PubChem (CID 3017677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).