3-ethoxypropyl-[(1R,5S)-3,3,5-trimethylcyclohexyl]azanium

C14H30NO+ — CID 8024889

IUPAC3-ethoxypropyl-[(1R,5S)-3,3,5-trimethylcyclohexyl]azanium
SMILESCCOCCC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1
InChIInChI=1S/C14H29NO/c1-5-16-8-6-7-15-13-9-12(2)10-14(3,4)11-13/h12-13,15H,5-11H2,1-4H3/p+1/t12-,13-/m1/s1
InChIKeyVWPDFPJVRWAPBU-CHWSQXEVSA-O
MW228.40 g/mol
LogP2.19
Rot. Bonds6

About 3-ethoxypropyl-[(1R,5S)-3,3,5-trimethylcyclohexyl]azanium

3-ethoxypropyl-[(1R,5S)-3,3,5-trimethylcyclohexyl]azanium (PubChem CID 8024889) has the molecular formula C14H30NO+ and a molecular weight of 228.40 g/mol. Its IUPAC name is 3-ethoxypropyl-[(1R,5S)-3,3,5-trimethylcyclohexyl]azanium.

Molecular Properties

Compound Name3-ethoxypropyl-[(1R,5S)-3,3,5-trimethylcyclohexyl]azanium
PubChem CID8024889
Molecular FormulaC14H30NO+
Molecular Weight228.40 g/mol
Exact Mass228.23
IUPAC Name3-ethoxypropyl-[(1R,5S)-3,3,5-trimethylcyclohexyl]azanium
SMILESCCOCCC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1
InChIInChI=1S/C14H29NO/c1-5-16-8-6-7-15-13-9-12(2)10-14(3,4)11-13/h12-13,15H,5-11H2,1-4H3/p+1/t12-,13-/m1/s1
InChIKeyVWPDFPJVRWAPBU-CHWSQXEVSA-O
XLogP2.19
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethoxypropyl-[(1R,5S)-3,3,5-trimethylcyclohexyl]azanium 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

N-(3-ethoxypropyl)-3,3,5-trimethylcyclohexan-1-amine
CID 16259084
N-(2-methoxyethyl)-3,3-dimethylcyclohexan-1-amine
CID 64468633
2-(Tert-butyl)-N-(3-methoxypropyl)cyclohexan-1-amine
CID 43182312
2-[(3,3,5-Trimethylcyclohexyl)amino]ethanol
CID 278951
3,3,5-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60732879
4,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 64392531
3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 64733848
N-[3-(2-methylpropoxy)propyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758378
N-(3-ethoxypropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758585
2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 79871774
3,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 81421182
N-(3-propoxypropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 82940570

Frequently Asked Questions

What is the IUPAC name of 3-ethoxypropyl-[(1R,5S)-3,3,5-trimethylcyclohexyl]azanium?
The IUPAC name of 3-ethoxypropyl-[(1R,5S)-3,3,5-trimethylcyclohexyl]azanium (CID 8024889) is 3-ethoxypropyl-[(1R,5S)-3,3,5-trimethylcyclohexyl]azanium.
What is the SMILES notation for 3-ethoxypropyl-[(1R,5S)-3,3,5-trimethylcyclohexyl]azanium?
The canonical SMILES for 3-ethoxypropyl-[(1R,5S)-3,3,5-trimethylcyclohexyl]azanium is CCOCCC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1.
What is the InChIKey of 3-ethoxypropyl-[(1R,5S)-3,3,5-trimethylcyclohexyl]azanium?
The InChIKey is VWPDFPJVRWAPBU-CHWSQXEVSA-O. The full InChI is InChI=1S/C14H29NO/c1-5-16-8-6-7-15-13-9-12(2)10-14(3,4)11-13/h12-13,15H,5-11H2,1-4H3/p+1/t12-,13-/m1/s1.
What are the key properties of 3-ethoxypropyl-[(1R,5S)-3,3,5-trimethylcyclohexyl]azanium?
3-ethoxypropyl-[(1R,5S)-3,3,5-trimethylcyclohexyl]azanium has a molecular weight of 228.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxypropyl-[(1R,5S)-3,3,5-trimethylcyclohexyl]azanium is sourced from PubChem (CID 8024889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).