2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropan-1-amine

C9H18N2 — CID 70325747

IUPAC2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)N1CC2CC2C1
InChIInChI=1S/C9H18N2/c1-9(2,6-10)11-4-7-3-8(7)5-11/h7-8H,3-6,10H2,1-2H3
InChIKeyFODUMKXPQPMYIO-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.68
Rot. Bonds2

About 2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropan-1-amine

2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropan-1-amine (PubChem CID 70325747) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropan-1-amine
PubChem CID70325747
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)N1CC2CC2C1
InChIInChI=1S/C9H18N2/c1-9(2,6-10)11-4-7-3-8(7)5-11/h7-8H,3-6,10H2,1-2H3
InChIKeyFODUMKXPQPMYIO-UHFFFAOYSA-N
XLogP0.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropan-1-amine (CID 70325747) is 2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropan-1-amine is CC(C)(CN)N1CC2CC2C1.
What is the InChIKey of 2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropan-1-amine?
The InChIKey is FODUMKXPQPMYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-9(2,6-10)11-4-7-3-8(7)5-11/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropan-1-amine?
2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropan-1-amine has a molecular weight of 154.26 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 70325747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).