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

C17H34N2O — CID 104958066

IUPAC[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propylcycloheptyl]methanamine
SMILESCCCC1CCCC(CN)(N2C[C@@H](C)O[C@@H](C)C2)CC1
InChIInChI=1S/C17H34N2O/c1-4-6-16-7-5-9-17(13-18,10-8-16)19-11-14(2)20-15(3)12-19/h14-16H,4-13,18H2,1-3H3/t14-,15+,16?,17?
InChIKeyHYQFAJCUHSIECT-RYTJFDOTSA-N
MW282.47 g/mol
LogP3.17
Rot. Bonds4

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

[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propylcycloheptyl]methanamine (PubChem CID 104958066) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is [1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propylcycloheptyl]methanamine.

Molecular Properties

Compound Name[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propylcycloheptyl]methanamine
PubChem CID104958066
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propylcycloheptyl]methanamine
SMILESCCCC1CCCC(CN)(N2C[C@@H](C)O[C@@H](C)C2)CC1
InChIInChI=1S/C17H34N2O/c1-4-6-16-7-5-9-17(13-18,10-8-16)19-11-14(2)20-15(3)12-19/h14-16H,4-13,18H2,1-3H3/t14-,15+,16?,17?
InChIKeyHYQFAJCUHSIECT-RYTJFDOTSA-N
XLogP3.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propylcycloheptyl]methanamine?
The IUPAC name of [1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propylcycloheptyl]methanamine (CID 104958066) is [1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propylcycloheptyl]methanamine.
What is the SMILES notation for [1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propylcycloheptyl]methanamine?
The canonical SMILES for [1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propylcycloheptyl]methanamine is CCCC1CCCC(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-propylcycloheptyl]methanamine?
The InChIKey is HYQFAJCUHSIECT-RYTJFDOTSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-6-16-7-5-9-17(13-18,10-8-16)19-11-14(2)20-15(3)12-19/h14-16H,4-13,18H2,1-3H3/t14-,15+,16?,17?.
What are the key properties of [1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propylcycloheptyl]methanamine?
[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propylcycloheptyl]methanamine has a molecular weight of 282.47 g/mol, XLogP of 3.17, 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-propylcycloheptyl]methanamine is sourced from PubChem (CID 104958066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).