[(4R)-4-(ethylamino)cyclohepten-1-yl]methanol

C10H19NO — CID 166839766

IUPAC[(4R)-4-(ethylamino)cyclohepten-1-yl]methanol
SMILESCCN[C@H]1CC=C(CO)CCC1
InChIInChI=1S/C10H19NO/c1-2-11-10-5-3-4-9(8-12)6-7-10/h6,10-12H,2-5,7-8H2,1H3/t10-/m1/s1
InChIKeyYINFOTWLLNHOCA-SNVBAGLBSA-N
MW169.27 g/mol
LogP1.46
Rot. Bonds3

About [(4R)-4-(ethylamino)cyclohepten-1-yl]methanol

[(4R)-4-(ethylamino)cyclohepten-1-yl]methanol (PubChem CID 166839766) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is [(4R)-4-(ethylamino)cyclohepten-1-yl]methanol.

Molecular Properties

Compound Name[(4R)-4-(ethylamino)cyclohepten-1-yl]methanol
PubChem CID166839766
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name[(4R)-4-(ethylamino)cyclohepten-1-yl]methanol
SMILESCCN[C@H]1CC=C(CO)CCC1
InChIInChI=1S/C10H19NO/c1-2-11-10-5-3-4-9(8-12)6-7-10/h6,10-12H,2-5,7-8H2,1H3/t10-/m1/s1
InChIKeyYINFOTWLLNHOCA-SNVBAGLBSA-N
XLogP1.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(ethylamino)cyclohepten-1-yl]methanol?
The IUPAC name of [(4R)-4-(ethylamino)cyclohepten-1-yl]methanol (CID 166839766) is [(4R)-4-(ethylamino)cyclohepten-1-yl]methanol.
What is the SMILES notation for [(4R)-4-(ethylamino)cyclohepten-1-yl]methanol?
The canonical SMILES for [(4R)-4-(ethylamino)cyclohepten-1-yl]methanol is CCN[C@H]1CC=C(CO)CCC1.
What is the InChIKey of [(4R)-4-(ethylamino)cyclohepten-1-yl]methanol?
The InChIKey is YINFOTWLLNHOCA-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-11-10-5-3-4-9(8-12)6-7-10/h6,10-12H,2-5,7-8H2,1H3/t10-/m1/s1.
What are the key properties of [(4R)-4-(ethylamino)cyclohepten-1-yl]methanol?
[(4R)-4-(ethylamino)cyclohepten-1-yl]methanol has a molecular weight of 169.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-(ethylamino)cyclohepten-1-yl]methanol is sourced from PubChem (CID 166839766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).