[6-amino-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol

C13H26N2O — CID 155392373

IUPAC[6-amino-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESCCCC(C)(CC)N1CC2C(C1)C2(N)CO
InChIInChI=1S/C13H26N2O/c1-4-6-12(3,5-2)15-7-10-11(8-15)13(10,14)9-16/h10-11,16H,4-9,14H2,1-3H3
InChIKeyMXFQFRCMZJPTON-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.21
Rot. Bonds5

About [6-amino-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol

[6-amino-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol (PubChem CID 155392373) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [6-amino-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol.

Molecular Properties

Compound Name[6-amino-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
PubChem CID155392373
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[6-amino-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESCCCC(C)(CC)N1CC2C(C1)C2(N)CO
InChIInChI=1S/C13H26N2O/c1-4-6-12(3,5-2)15-7-10-11(8-15)13(10,14)9-16/h10-11,16H,4-9,14H2,1-3H3
InChIKeyMXFQFRCMZJPTON-UHFFFAOYSA-N
XLogP1.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-amino-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The IUPAC name of [6-amino-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol (CID 155392373) is [6-amino-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol.
What is the SMILES notation for [6-amino-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The canonical SMILES for [6-amino-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol is CCCC(C)(CC)N1CC2C(C1)C2(N)CO.
What is the InChIKey of [6-amino-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The InChIKey is MXFQFRCMZJPTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-6-12(3,5-2)15-7-10-11(8-15)13(10,14)9-16/h10-11,16H,4-9,14H2,1-3H3.
What are the key properties of [6-amino-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
[6-amino-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol has a molecular weight of 226.36 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-amino-3-(3-methylhexan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol is sourced from PubChem (CID 155392373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).