4-(2-methylbutan-2-yl)-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine

C18H36N2O — CID 29053454

IUPAC4-(2-methylbutan-2-yl)-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCCCN2CCOCC2)CC1
InChIInChI=1S/C18H36N2O/c1-4-18(2,3)16-6-8-17(9-7-16)19-10-5-11-20-12-14-21-15-13-20/h16-17,19H,4-15H2,1-3H3
InChIKeyRRZQJSWVOAFIHL-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.29
Rot. Bonds7

About 4-(2-methylbutan-2-yl)-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine

4-(2-methylbutan-2-yl)-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine (PubChem CID 29053454) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine
PubChem CID29053454
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name4-(2-methylbutan-2-yl)-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCCCN2CCOCC2)CC1
InChIInChI=1S/C18H36N2O/c1-4-18(2,3)16-6-8-17(9-7-16)19-10-5-11-20-12-14-21-15-13-20/h16-17,19H,4-15H2,1-3H3
InChIKeyRRZQJSWVOAFIHL-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.29
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine (CID 29053454) is 4-(2-methylbutan-2-yl)-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine is CCC(C)(C)C1CCC(NCCCN2CCOCC2)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine?
The InChIKey is RRZQJSWVOAFIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-18(2,3)16-6-8-17(9-7-16)19-10-5-11-20-12-14-21-15-13-20/h16-17,19H,4-15H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yl)-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine?
4-(2-methylbutan-2-yl)-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-(3-morpholin-4-ylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 29053454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).