(2S)-2-methyl-5-propoxyazepane

C10H21NO — CID 155155288

IUPAC(2S)-2-methyl-5-propoxyazepane
SMILESCCCOC1CCN[C@@H](C)CC1
InChIInChI=1S/C10H21NO/c1-3-8-12-10-5-4-9(2)11-7-6-10/h9-11H,3-8H2,1-2H3/t9-,10?/m0/s1
InChIKeyTYHMTFDKWYOQNC-RGURZIINSA-N
MW171.28 g/mol
LogP1.94
Rot. Bonds3

About (2S)-2-methyl-5-propoxyazepane

(2S)-2-methyl-5-propoxyazepane (PubChem CID 155155288) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2S)-2-methyl-5-propoxyazepane.

Molecular Properties

Compound Name(2S)-2-methyl-5-propoxyazepane
PubChem CID155155288
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2S)-2-methyl-5-propoxyazepane
SMILESCCCOC1CCN[C@@H](C)CC1
InChIInChI=1S/C10H21NO/c1-3-8-12-10-5-4-9(2)11-7-6-10/h9-11H,3-8H2,1-2H3/t9-,10?/m0/s1
InChIKeyTYHMTFDKWYOQNC-RGURZIINSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-5-propoxyazepane?
The IUPAC name of (2S)-2-methyl-5-propoxyazepane (CID 155155288) is (2S)-2-methyl-5-propoxyazepane.
What is the SMILES notation for (2S)-2-methyl-5-propoxyazepane?
The canonical SMILES for (2S)-2-methyl-5-propoxyazepane is CCCOC1CCN[C@@H](C)CC1.
What is the InChIKey of (2S)-2-methyl-5-propoxyazepane?
The InChIKey is TYHMTFDKWYOQNC-RGURZIINSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-8-12-10-5-4-9(2)11-7-6-10/h9-11H,3-8H2,1-2H3/t9-,10?/m0/s1.
What are the key properties of (2S)-2-methyl-5-propoxyazepane?
(2S)-2-methyl-5-propoxyazepane has a molecular weight of 171.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-5-propoxyazepane is sourced from PubChem (CID 155155288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).