(1S,3R,4R)-3,4-dimethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]cyclohexan-1-amine

C14H28N2O — CID 124863830

IUPAC(1S,3R,4R)-3,4-dimethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]cyclohexan-1-amine
SMILESC[C@@H]1CC[C@H](NC[C@H]2CN(C)CCO2)C[C@H]1C
InChIInChI=1S/C14H28N2O/c1-11-4-5-13(8-12(11)2)15-9-14-10-16(3)6-7-17-14/h11-15H,4-10H2,1-3H3/t11-,12-,13+,14+/m1/s1
InChIKeyQDKBVOPWMUJSEI-MQYQWHSLSA-N
MW240.39 g/mol
LogP1.73
Rot. Bonds3

About (1S,3R,4R)-3,4-dimethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]cyclohexan-1-amine

(1S,3R,4R)-3,4-dimethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]cyclohexan-1-amine (PubChem CID 124863830) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (1S,3R,4R)-3,4-dimethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name(1S,3R,4R)-3,4-dimethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]cyclohexan-1-amine
PubChem CID124863830
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(1S,3R,4R)-3,4-dimethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]cyclohexan-1-amine
SMILESC[C@@H]1CC[C@H](NC[C@H]2CN(C)CCO2)C[C@H]1C
InChIInChI=1S/C14H28N2O/c1-11-4-5-13(8-12(11)2)15-9-14-10-16(3)6-7-17-14/h11-15H,4-10H2,1-3H3/t11-,12-,13+,14+/m1/s1
InChIKeyQDKBVOPWMUJSEI-MQYQWHSLSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-3,4-dimethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]cyclohexan-1-amine?
The IUPAC name of (1S,3R,4R)-3,4-dimethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]cyclohexan-1-amine (CID 124863830) is (1S,3R,4R)-3,4-dimethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for (1S,3R,4R)-3,4-dimethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for (1S,3R,4R)-3,4-dimethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]cyclohexan-1-amine is C[C@@H]1CC[C@H](NC[C@H]2CN(C)CCO2)C[C@H]1C.
What is the InChIKey of (1S,3R,4R)-3,4-dimethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]cyclohexan-1-amine?
The InChIKey is QDKBVOPWMUJSEI-MQYQWHSLSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11-4-5-13(8-12(11)2)15-9-14-10-16(3)6-7-17-14/h11-15H,4-10H2,1-3H3/t11-,12-,13+,14+/m1/s1.
What are the key properties of (1S,3R,4R)-3,4-dimethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]cyclohexan-1-amine?
(1S,3R,4R)-3,4-dimethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]cyclohexan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-3,4-dimethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 124863830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).