(4-tert-butylcyclohexyl)-(3-methoxypropyl)azanium

C14H30NO+ — CID 7014294

IUPAC(4-tert-butylcyclohexyl)-(3-methoxypropyl)azanium
SMILESCOCCC[NH2+]C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H29NO/c1-14(2,3)12-6-8-13(9-7-12)15-10-5-11-16-4/h12-13,15H,5-11H2,1-4H3/p+1
InChIKeyLXMGPWOOWGYLKO-UHFFFAOYSA-O
MW228.40 g/mol
LogP2.19
Rot. Bonds5

About (4-tert-butylcyclohexyl)-(3-methoxypropyl)azanium

(4-tert-butylcyclohexyl)-(3-methoxypropyl)azanium (PubChem CID 7014294) has the molecular formula C14H30NO+ and a molecular weight of 228.40 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-(3-methoxypropyl)azanium.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-(3-methoxypropyl)azanium
PubChem CID7014294
Molecular FormulaC14H30NO+
Molecular Weight228.40 g/mol
Exact Mass228.23
IUPAC Name(4-tert-butylcyclohexyl)-(3-methoxypropyl)azanium
SMILESCOCCC[NH2+]C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H29NO/c1-14(2,3)12-6-8-13(9-7-12)15-10-5-11-16-4/h12-13,15H,5-11H2,1-4H3/p+1
InChIKeyLXMGPWOOWGYLKO-UHFFFAOYSA-O
XLogP2.19
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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 (4-tert-butylcyclohexyl)-(3-methoxypropyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-(3-methoxypropyl)azanium?
The IUPAC name of (4-tert-butylcyclohexyl)-(3-methoxypropyl)azanium (CID 7014294) is (4-tert-butylcyclohexyl)-(3-methoxypropyl)azanium.
What is the SMILES notation for (4-tert-butylcyclohexyl)-(3-methoxypropyl)azanium?
The canonical SMILES for (4-tert-butylcyclohexyl)-(3-methoxypropyl)azanium is COCCC[NH2+]C1CCC(C(C)(C)C)CC1.
What is the InChIKey of (4-tert-butylcyclohexyl)-(3-methoxypropyl)azanium?
The InChIKey is LXMGPWOOWGYLKO-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H29NO/c1-14(2,3)12-6-8-13(9-7-12)15-10-5-11-16-4/h12-13,15H,5-11H2,1-4H3/p+1.
What are the key properties of (4-tert-butylcyclohexyl)-(3-methoxypropyl)azanium?
(4-tert-butylcyclohexyl)-(3-methoxypropyl)azanium has a molecular weight of 228.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)-(3-methoxypropyl)azanium is sourced from PubChem (CID 7014294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).