2-[(1S,2S)-2-amino-2-nonylcyclopropyl]ethanol

C14H29NO — CID 135038826

IUPAC2-[(1S,2S)-2-amino-2-nonylcyclopropyl]ethanol
SMILESCCCCCCCCC[C@]1(N)C[C@H]1CCO
InChIInChI=1S/C14H29NO/c1-2-3-4-5-6-7-8-10-14(15)12-13(14)9-11-16/h13,16H,2-12,15H2,1H3/t13-,14+/m1/s1
InChIKeyFMRGXCMAZWNJPE-KGLIPLIRSA-N
MW227.39 g/mol
LogP3.23
Rot. Bonds10

About 2-[(1S,2S)-2-amino-2-nonylcyclopropyl]ethanol

2-[(1S,2S)-2-amino-2-nonylcyclopropyl]ethanol (PubChem CID 135038826) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-[(1S,2S)-2-amino-2-nonylcyclopropyl]ethanol.

Molecular Properties

Compound Name2-[(1S,2S)-2-amino-2-nonylcyclopropyl]ethanol
PubChem CID135038826
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-[(1S,2S)-2-amino-2-nonylcyclopropyl]ethanol
SMILESCCCCCCCCC[C@]1(N)C[C@H]1CCO
InChIInChI=1S/C14H29NO/c1-2-3-4-5-6-7-8-10-14(15)12-13(14)9-11-16/h13,16H,2-12,15H2,1H3/t13-,14+/m1/s1
InChIKeyFMRGXCMAZWNJPE-KGLIPLIRSA-N
XLogP3.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-amino-2-nonylcyclopropyl]ethanol?
The IUPAC name of 2-[(1S,2S)-2-amino-2-nonylcyclopropyl]ethanol (CID 135038826) is 2-[(1S,2S)-2-amino-2-nonylcyclopropyl]ethanol.
What is the SMILES notation for 2-[(1S,2S)-2-amino-2-nonylcyclopropyl]ethanol?
The canonical SMILES for 2-[(1S,2S)-2-amino-2-nonylcyclopropyl]ethanol is CCCCCCCCC[C@]1(N)C[C@H]1CCO.
What is the InChIKey of 2-[(1S,2S)-2-amino-2-nonylcyclopropyl]ethanol?
The InChIKey is FMRGXCMAZWNJPE-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H29NO/c1-2-3-4-5-6-7-8-10-14(15)12-13(14)9-11-16/h13,16H,2-12,15H2,1H3/t13-,14+/m1/s1.
What are the key properties of 2-[(1S,2S)-2-amino-2-nonylcyclopropyl]ethanol?
2-[(1S,2S)-2-amino-2-nonylcyclopropyl]ethanol has a molecular weight of 227.39 g/mol, XLogP of 3.23, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-amino-2-nonylcyclopropyl]ethanol is sourced from PubChem (CID 135038826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).