trans-(1R,2R)-2-ethoxycycloheptan-1-amine

C9H19NO — CID 30818327

IUPACtrans-(1R,2R)-2-ethoxycycloheptan-1-amine
SMILESCCO[C@@H]1CCCCC[C@H]1N
InChIInChI=1S/C9H19NO/c1-2-11-9-7-5-3-4-6-8(9)10/h8-9H,2-7,10H2,1H3/t8-,9-/m1/s1
InChIKeyUMQVSWNKTFNAEL-RKDXNWHRSA-N
MW157.26 g/mol
LogP1.68
Rot. Bonds2

About trans-(1R,2R)-2-ethoxycycloheptan-1-amine

trans-(1R,2R)-2-ethoxycycloheptan-1-amine (PubChem CID 30818327) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is trans-(1R,2R)-2-ethoxycycloheptan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-ethoxycycloheptan-1-amine
PubChem CID30818327
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Nametrans-(1R,2R)-2-ethoxycycloheptan-1-amine
SMILESCCO[C@@H]1CCCCC[C@H]1N
InChIInChI=1S/C9H19NO/c1-2-11-9-7-5-3-4-6-8(9)10/h8-9H,2-7,10H2,1H3/t8-,9-/m1/s1
InChIKeyUMQVSWNKTFNAEL-RKDXNWHRSA-N
XLogP1.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-ethoxycycloheptan-1-amine?
The IUPAC name of trans-(1R,2R)-2-ethoxycycloheptan-1-amine (CID 30818327) is trans-(1R,2R)-2-ethoxycycloheptan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-ethoxycycloheptan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-ethoxycycloheptan-1-amine is CCO[C@@H]1CCCCC[C@H]1N.
What is the InChIKey of trans-(1R,2R)-2-ethoxycycloheptan-1-amine?
The InChIKey is UMQVSWNKTFNAEL-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-11-9-7-5-3-4-6-8(9)10/h8-9H,2-7,10H2,1H3/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-ethoxycycloheptan-1-amine?
trans-(1R,2R)-2-ethoxycycloheptan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-ethoxycycloheptan-1-amine is sourced from PubChem (CID 30818327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).