[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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-methyl-1-(4-propylazepan-1-yl)cycloheptyl]methanamine
CID 65084993
[1-(1,4-oxazepan-4-yl)-4-propylcycloheptyl]methanamine
CID 65089002
[1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylcycloheptyl]methanamine
CID 65088160
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine
CID 65089250
[1-(2,6-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
CID 43080101
[1-(2,6-dimethylmorpholin-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64759439
[4-(2,6-dimethylmorpholin-4-yl)oxan-4-yl]methanamine
CID 43608670
[1-(3-propylpyrrolidin-1-yl)cycloheptyl]methanamine
CID 113417185
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine
CID 79917366
[1-(3-methoxy-4-methylpiperidin-1-yl)-4-propylcyclohexyl]methanamine
CID 102964786
[3-ethyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclohexyl]methanamine
CID 66392860
[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]oxolan-3-yl]methanamine
CID 104958107

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).