1-[[2-(6,7-dimethyloct-1-en-2-yl)cyclopropyl]amino]ethanol

C15H29NO — CID 166743499

IUPAC1-[[2-(6,7-dimethyloct-1-en-2-yl)cyclopropyl]amino]ethanol
SMILESC=C(CCCC(C)C(C)C)C1CC1NC(C)O
InChIInChI=1S/C15H29NO/c1-10(2)11(3)7-6-8-12(4)14-9-15(14)16-13(5)17/h10-11,13-17H,4,6-9H2,1-3,5H3
InChIKeyRLULBGAWSPYMGG-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.32
Rot. Bonds8

About 1-[[2-(6,7-dimethyloct-1-en-2-yl)cyclopropyl]amino]ethanol

1-[[2-(6,7-dimethyloct-1-en-2-yl)cyclopropyl]amino]ethanol (PubChem CID 166743499) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-[[2-(6,7-dimethyloct-1-en-2-yl)cyclopropyl]amino]ethanol.

Molecular Properties

Compound Name1-[[2-(6,7-dimethyloct-1-en-2-yl)cyclopropyl]amino]ethanol
PubChem CID166743499
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-[[2-(6,7-dimethyloct-1-en-2-yl)cyclopropyl]amino]ethanol
SMILESC=C(CCCC(C)C(C)C)C1CC1NC(C)O
InChIInChI=1S/C15H29NO/c1-10(2)11(3)7-6-8-12(4)14-9-15(14)16-13(5)17/h10-11,13-17H,4,6-9H2,1-3,5H3
InChIKeyRLULBGAWSPYMGG-UHFFFAOYSA-N
XLogP3.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(6,7-dimethyloct-1-en-2-yl)cyclopropyl]amino]ethanol?
The IUPAC name of 1-[[2-(6,7-dimethyloct-1-en-2-yl)cyclopropyl]amino]ethanol (CID 166743499) is 1-[[2-(6,7-dimethyloct-1-en-2-yl)cyclopropyl]amino]ethanol.
What is the SMILES notation for 1-[[2-(6,7-dimethyloct-1-en-2-yl)cyclopropyl]amino]ethanol?
The canonical SMILES for 1-[[2-(6,7-dimethyloct-1-en-2-yl)cyclopropyl]amino]ethanol is C=C(CCCC(C)C(C)C)C1CC1NC(C)O.
What is the InChIKey of 1-[[2-(6,7-dimethyloct-1-en-2-yl)cyclopropyl]amino]ethanol?
The InChIKey is RLULBGAWSPYMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-10(2)11(3)7-6-8-12(4)14-9-15(14)16-13(5)17/h10-11,13-17H,4,6-9H2,1-3,5H3.
What are the key properties of 1-[[2-(6,7-dimethyloct-1-en-2-yl)cyclopropyl]amino]ethanol?
1-[[2-(6,7-dimethyloct-1-en-2-yl)cyclopropyl]amino]ethanol has a molecular weight of 239.40 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(6,7-dimethyloct-1-en-2-yl)cyclopropyl]amino]ethanol is sourced from PubChem (CID 166743499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).