2-[(3-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-amine

C15H30N2O — CID 62615930

IUPAC2-[(3-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(CN2CCOCC2C)C1
InChIInChI=1S/C15H30N2O/c1-3-4-13-5-6-15(16)14(9-13)10-17-7-8-18-11-12(17)2/h12-15H,3-11,16H2,1-2H3
InChIKeyQMZFEBLMJFFJBV-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.25
Rot. Bonds4

About 2-[(3-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-amine

2-[(3-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-amine (PubChem CID 62615930) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-[(3-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-amine
PubChem CID62615930
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-[(3-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(CN2CCOCC2C)C1
InChIInChI=1S/C15H30N2O/c1-3-4-13-5-6-15(16)14(9-13)10-17-7-8-18-11-12(17)2/h12-15H,3-11,16H2,1-2H3
InChIKeyQMZFEBLMJFFJBV-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of 2-[(3-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-amine (CID 62615930) is 2-[(3-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(3-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(CN2CCOCC2C)C1.
What is the InChIKey of 2-[(3-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-amine?
The InChIKey is QMZFEBLMJFFJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-4-13-5-6-15(16)14(9-13)10-17-7-8-18-11-12(17)2/h12-15H,3-11,16H2,1-2H3.
What are the key properties of 2-[(3-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-amine?
2-[(3-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 62615930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).