[(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)amino]methanol

C11H21NO — CID 154507013

IUPAC[(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)amino]methanol
SMILESCC1CCC2C(C)(C)C2(NCO)C1
InChIInChI=1S/C11H21NO/c1-8-4-5-9-10(2,3)11(9,6-8)12-7-13/h8-9,12-13H,4-7H2,1-3H3
InChIKeyMPARFYVLJQPLBQ-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.74
Rot. Bonds2

About [(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)amino]methanol

[(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)amino]methanol (PubChem CID 154507013) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is [(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)amino]methanol.

Molecular Properties

Compound Name[(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)amino]methanol
PubChem CID154507013
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name[(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)amino]methanol
SMILESCC1CCC2C(C)(C)C2(NCO)C1
InChIInChI=1S/C11H21NO/c1-8-4-5-9-10(2,3)11(9,6-8)12-7-13/h8-9,12-13H,4-7H2,1-3H3
InChIKeyMPARFYVLJQPLBQ-UHFFFAOYSA-N
XLogP1.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)amino]methanol?
The IUPAC name of [(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)amino]methanol (CID 154507013) is [(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)amino]methanol.
What is the SMILES notation for [(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)amino]methanol?
The canonical SMILES for [(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)amino]methanol is CC1CCC2C(C)(C)C2(NCO)C1.
What is the InChIKey of [(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)amino]methanol?
The InChIKey is MPARFYVLJQPLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8-4-5-9-10(2,3)11(9,6-8)12-7-13/h8-9,12-13H,4-7H2,1-3H3.
What are the key properties of [(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)amino]methanol?
[(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)amino]methanol has a molecular weight of 183.29 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)amino]methanol is sourced from PubChem (CID 154507013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).