2-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine

C17H34N2O — CID 43592740

IUPAC2-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N)C(N2CCOC(C)(C)C2)C1
InChIInChI=1S/C17H34N2O/c1-6-16(2,3)13-7-8-14(18)15(11-13)19-9-10-20-17(4,5)12-19/h13-15H,6-12,18H2,1-5H3
InChIKeyQQMRYPNBZRXHJH-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.03
Rot. Bonds3

About 2-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine

2-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 43592740) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID43592740
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N)C(N2CCOC(C)(C)C2)C1
InChIInChI=1S/C17H34N2O/c1-6-16(2,3)13-7-8-14(18)15(11-13)19-9-10-20-17(4,5)12-19/h13-15H,6-12,18H2,1-5H3
InChIKeyQQMRYPNBZRXHJH-UHFFFAOYSA-N
XLogP3.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine (CID 43592740) is 2-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine is CCC(C)(C)C1CCC(N)C(N2CCOC(C)(C)C2)C1.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is QQMRYPNBZRXHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-6-16(2,3)13-7-8-14(18)15(11-13)19-9-10-20-17(4,5)12-19/h13-15H,6-12,18H2,1-5H3.
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
2-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 43592740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).