N-[(4-ethylmorpholin-2-yl)methyl]-3,3,5-trimethylcyclohexan-1-amine

C16H32N2O — CID 115653587

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-3,3,5-trimethylcyclohexan-1-amine
SMILESCCN1CCOC(CNC2CC(C)CC(C)(C)C2)C1
InChIInChI=1S/C16H32N2O/c1-5-18-6-7-19-15(12-18)11-17-14-8-13(2)9-16(3,4)10-14/h13-15,17H,5-12H2,1-4H3
InChIKeyNAVKPFYUFKYXCA-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds4

About N-[(4-ethylmorpholin-2-yl)methyl]-3,3,5-trimethylcyclohexan-1-amine

N-[(4-ethylmorpholin-2-yl)methyl]-3,3,5-trimethylcyclohexan-1-amine (PubChem CID 115653587) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-3,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-3,3,5-trimethylcyclohexan-1-amine
PubChem CID115653587
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-3,3,5-trimethylcyclohexan-1-amine
SMILESCCN1CCOC(CNC2CC(C)CC(C)(C)C2)C1
InChIInChI=1S/C16H32N2O/c1-5-18-6-7-19-15(12-18)11-17-14-8-13(2)9-16(3,4)10-14/h13-15,17H,5-12H2,1-4H3
InChIKeyNAVKPFYUFKYXCA-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-3,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-3,3,5-trimethylcyclohexan-1-amine (CID 115653587) is N-[(4-ethylmorpholin-2-yl)methyl]-3,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-3,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-3,3,5-trimethylcyclohexan-1-amine is CCN1CCOC(CNC2CC(C)CC(C)(C)C2)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-3,3,5-trimethylcyclohexan-1-amine?
The InChIKey is NAVKPFYUFKYXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-18-6-7-19-15(12-18)11-17-14-8-13(2)9-16(3,4)10-14/h13-15,17H,5-12H2,1-4H3.
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-3,3,5-trimethylcyclohexan-1-amine?
N-[(4-ethylmorpholin-2-yl)methyl]-3,3,5-trimethylcyclohexan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-2-yl)methyl]-3,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 115653587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).