(2S,3S,4S,5R,6R,7R)-1-ethyl-2,3,4,5,6,7-hexamethylazepane

C14H29N — CID 118216160

IUPAC(2S,3S,4S,5R,6R,7R)-1-ethyl-2,3,4,5,6,7-hexamethylazepane
SMILESCCN1[C@H](C)[C@H](C)[C@H](C)[C@H](C)[C@H](C)[C@@H]1C
InChIInChI=1S/C14H29N/c1-8-15-13(6)11(4)9(2)10(3)12(5)14(15)7/h9-14H,8H2,1-7H3/t9-,10+,11-,12+,13-,14+
InChIKeyDTHLEVNLTPQNDX-LRRLDJKKSA-N
MW211.39 g/mol
LogP3.64
Rot. Bonds1

About (2S,3S,4S,5R,6R,7R)-1-ethyl-2,3,4,5,6,7-hexamethylazepane

(2S,3S,4S,5R,6R,7R)-1-ethyl-2,3,4,5,6,7-hexamethylazepane (PubChem CID 118216160) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is (2S,3S,4S,5R,6R,7R)-1-ethyl-2,3,4,5,6,7-hexamethylazepane.

Molecular Properties

Compound Name(2S,3S,4S,5R,6R,7R)-1-ethyl-2,3,4,5,6,7-hexamethylazepane
PubChem CID118216160
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name(2S,3S,4S,5R,6R,7R)-1-ethyl-2,3,4,5,6,7-hexamethylazepane
SMILESCCN1[C@H](C)[C@H](C)[C@H](C)[C@H](C)[C@H](C)[C@@H]1C
InChIInChI=1S/C14H29N/c1-8-15-13(6)11(4)9(2)10(3)12(5)14(15)7/h9-14H,8H2,1-7H3/t9-,10+,11-,12+,13-,14+
InChIKeyDTHLEVNLTPQNDX-LRRLDJKKSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S,3S,4S,5R,6R,7R)-1-ethyl-2,3,4,5,6,7-hexamethylazepane with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6R,7R)-1-ethyl-2,3,4,5,6,7-hexamethylazepane?
The IUPAC name of (2S,3S,4S,5R,6R,7R)-1-ethyl-2,3,4,5,6,7-hexamethylazepane (CID 118216160) is (2S,3S,4S,5R,6R,7R)-1-ethyl-2,3,4,5,6,7-hexamethylazepane.
What is the SMILES notation for (2S,3S,4S,5R,6R,7R)-1-ethyl-2,3,4,5,6,7-hexamethylazepane?
The canonical SMILES for (2S,3S,4S,5R,6R,7R)-1-ethyl-2,3,4,5,6,7-hexamethylazepane is CCN1[C@H](C)[C@H](C)[C@H](C)[C@H](C)[C@H](C)[C@@H]1C.
What is the InChIKey of (2S,3S,4S,5R,6R,7R)-1-ethyl-2,3,4,5,6,7-hexamethylazepane?
The InChIKey is DTHLEVNLTPQNDX-LRRLDJKKSA-N. The full InChI is InChI=1S/C14H29N/c1-8-15-13(6)11(4)9(2)10(3)12(5)14(15)7/h9-14H,8H2,1-7H3/t9-,10+,11-,12+,13-,14+.
What are the key properties of (2S,3S,4S,5R,6R,7R)-1-ethyl-2,3,4,5,6,7-hexamethylazepane?
(2S,3S,4S,5R,6R,7R)-1-ethyl-2,3,4,5,6,7-hexamethylazepane has a molecular weight of 211.39 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R,6R,7R)-1-ethyl-2,3,4,5,6,7-hexamethylazepane is sourced from PubChem (CID 118216160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).