[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-(2-methylbutan-2-yl)cyclohexyl]methanamine

C18H36N2O — CID 29272751

IUPAC[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)(N2C[C@@H](C)O[C@@H](C)C2)CC1
InChIInChI=1S/C18H36N2O/c1-6-17(4,5)16-7-9-18(13-19,10-8-16)20-11-14(2)21-15(3)12-20/h14-16H,6-13,19H2,1-5H3/t14-,15+,16?,18?
InChIKeyMJXQYJNLEZAMQM-SFYZZRBRSA-N
MW296.50 g/mol
LogP3.42
Rot. Bonds4

About [1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-(2-methylbutan-2-yl)cyclohexyl]methanamine

[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-(2-methylbutan-2-yl)cyclohexyl]methanamine (PubChem CID 29272751) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is [1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-(2-methylbutan-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
PubChem CID29272751
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)(N2C[C@@H](C)O[C@@H](C)C2)CC1
InChIInChI=1S/C18H36N2O/c1-6-17(4,5)16-7-9-18(13-19,10-8-16)20-11-14(2)21-15(3)12-20/h14-16H,6-13,19H2,1-5H3/t14-,15+,16?,18?
InChIKeyMJXQYJNLEZAMQM-SFYZZRBRSA-N
XLogP3.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-(2-methylbutan-2-yl)cyclohexyl]methanamine 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 [1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-(2-methylbutan-2-yl)cyclohexyl]methanamine?
The IUPAC name of [1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-(2-methylbutan-2-yl)cyclohexyl]methanamine (CID 29272751) is [1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-(2-methylbutan-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-(2-methylbutan-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-(2-methylbutan-2-yl)cyclohexyl]methanamine is CCC(C)(C)C1CCC(CN)(N2C[C@@H](C)O[C@@H](C)C2)CC1.
What is the InChIKey of [1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-(2-methylbutan-2-yl)cyclohexyl]methanamine?
The InChIKey is MJXQYJNLEZAMQM-SFYZZRBRSA-N. The full InChI is InChI=1S/C18H36N2O/c1-6-17(4,5)16-7-9-18(13-19,10-8-16)20-11-14(2)21-15(3)12-20/h14-16H,6-13,19H2,1-5H3/t14-,15+,16?,18?.
What are the key properties of [1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-(2-methylbutan-2-yl)cyclohexyl]methanamine?
[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-(2-methylbutan-2-yl)cyclohexyl]methanamine has a molecular weight of 296.50 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-(2-methylbutan-2-yl)cyclohexyl]methanamine is sourced from PubChem (CID 29272751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).