N-[1-cyclopentyl-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]propan-1-amine

C16H32N2O — CID 104958375

IUPACN-[1-cyclopentyl-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]propan-1-amine
SMILESCCCNC(CN1C[C@@H](C)O[C@@H](C)C1)C1CCCC1
InChIInChI=1S/C16H32N2O/c1-4-9-17-16(15-7-5-6-8-15)12-18-10-13(2)19-14(3)11-18/h13-17H,4-12H2,1-3H3/t13-,14+,16?
InChIKeyJANXUMVEORBSGV-MZBDJJRSSA-N
MW268.44 g/mol
LogP2.65
Rot. Bonds6

About N-[1-cyclopentyl-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]propan-1-amine

N-[1-cyclopentyl-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]propan-1-amine (PubChem CID 104958375) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[1-cyclopentyl-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopentyl-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]propan-1-amine
PubChem CID104958375
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[1-cyclopentyl-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]propan-1-amine
SMILESCCCNC(CN1C[C@@H](C)O[C@@H](C)C1)C1CCCC1
InChIInChI=1S/C16H32N2O/c1-4-9-17-16(15-7-5-6-8-15)12-18-10-13(2)19-14(3)11-18/h13-17H,4-12H2,1-3H3/t13-,14+,16?
InChIKeyJANXUMVEORBSGV-MZBDJJRSSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-cyclopentyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]propan-1-amine
CID 104746643
N-[1-cyclopropyl-2-(3-methylpiperidin-1-yl)ethyl]propan-1-amine
CID 63915143
1-[2-cyclopentyl-2-(propylamino)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 104746159
N-[1-cyclopentyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]propan-1-amine
CID 104746508
1-cyclopentyl-N-ethyl-2-(2-methylmorpholin-4-yl)ethanamine
CID 104744367
1-[2-cyclopropyl-2-(propylamino)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81463979
N-(1-cyclohexyl-2-cyclopropylethyl)propan-1-amine
CID 64906584
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
N-[1-cyclohexyl-2-(3-methylmorpholin-4-yl)ethyl]propan-1-amine
CID 104744783
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethyl]propan-1-amine
CID 104958381
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-N-propylpropan-1-amine
CID 104960024

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopentyl-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopentyl-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]propan-1-amine (CID 104958375) is N-[1-cyclopentyl-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopentyl-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopentyl-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]propan-1-amine is CCCNC(CN1C[C@@H](C)O[C@@H](C)C1)C1CCCC1.
What is the InChIKey of N-[1-cyclopentyl-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]propan-1-amine?
The InChIKey is JANXUMVEORBSGV-MZBDJJRSSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-9-17-16(15-7-5-6-8-15)12-18-10-13(2)19-14(3)11-18/h13-17H,4-12H2,1-3H3/t13-,14+,16?.
What are the key properties of N-[1-cyclopentyl-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]propan-1-amine?
N-[1-cyclopentyl-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]propan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopentyl-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 104958375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).