2-[(2S)-1-methylazepan-2-yl]ethanamine;molecular hydrogen

C9H22N2 — CID 178143502

IUPAC2-[(2S)-1-methylazepan-2-yl]ethanamine;molecular hydrogen
SMILESCN1CCCCC[C@H]1CCN.[H][H]
InChIInChI=1S/C9H20N2.H2/c1-11-8-4-2-3-5-9(11)6-7-10;/h9H,2-8,10H2,1H3;1H/t9-;/m0./s1
InChIKeyMHUIIFSSJSPYEM-FVGYRXGTSA-N
MW158.29 g/mol
LogP1.46
Rot. Bonds2

About 2-[(2S)-1-methylazepan-2-yl]ethanamine;molecular hydrogen

2-[(2S)-1-methylazepan-2-yl]ethanamine;molecular hydrogen (PubChem CID 178143502) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 2-[(2S)-1-methylazepan-2-yl]ethanamine;molecular hydrogen.

Molecular Properties

Compound Name2-[(2S)-1-methylazepan-2-yl]ethanamine;molecular hydrogen
PubChem CID178143502
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name2-[(2S)-1-methylazepan-2-yl]ethanamine;molecular hydrogen
SMILESCN1CCCCC[C@H]1CCN.[H][H]
InChIInChI=1S/C9H20N2.H2/c1-11-8-4-2-3-5-9(11)6-7-10;/h9H,2-8,10H2,1H3;1H/t9-;/m0./s1
InChIKeyMHUIIFSSJSPYEM-FVGYRXGTSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-N'-[2-(1-methylpiperidin-2-yl)ethyl]ethane-1,2-diamine
CID 62688458
2-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-yl]ethanamine
CID 114015284
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
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(2R)-2-ethyl-1-methylpiperidine
CID 67552955
2-(1-tert-butylazepan-2-yl)ethanamine
CID 84668474
N'-cyclopropyl-N'-[2-(1-methylpiperidin-2-yl)ethyl]propane-1,3-diamine
CID 107911214
2-(1-methylpiperidin-2-yl)ethanesulfonamide
CID 107912942
1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510
cyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen
CID 143951282
2-[1-(2-fluoroethyl)piperidin-2-yl]ethanamine
CID 80695108
2-[1-(3,3-difluorobutyl)azepan-2-yl]ethanamine
CID 84697916
[4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-yl]methanamine
CID 80505748

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-methylazepan-2-yl]ethanamine;molecular hydrogen?
The IUPAC name of 2-[(2S)-1-methylazepan-2-yl]ethanamine;molecular hydrogen (CID 178143502) is 2-[(2S)-1-methylazepan-2-yl]ethanamine;molecular hydrogen.
What is the SMILES notation for 2-[(2S)-1-methylazepan-2-yl]ethanamine;molecular hydrogen?
The canonical SMILES for 2-[(2S)-1-methylazepan-2-yl]ethanamine;molecular hydrogen is CN1CCCCC[C@H]1CCN.[H][H].
What is the InChIKey of 2-[(2S)-1-methylazepan-2-yl]ethanamine;molecular hydrogen?
The InChIKey is MHUIIFSSJSPYEM-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H20N2.H2/c1-11-8-4-2-3-5-9(11)6-7-10;/h9H,2-8,10H2,1H3;1H/t9-;/m0./s1.
What are the key properties of 2-[(2S)-1-methylazepan-2-yl]ethanamine;molecular hydrogen?
2-[(2S)-1-methylazepan-2-yl]ethanamine;molecular hydrogen has a molecular weight of 158.29 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-methylazepan-2-yl]ethanamine;molecular hydrogen is sourced from PubChem (CID 178143502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).