N-butan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine

C9H18N2 — CID 79677248

IUPACN-butan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCCC(C)NC1C2CNCC21
InChIInChI=1S/C9H18N2/c1-3-6(2)11-9-7-4-10-5-8(7)9/h6-11H,3-5H2,1-2H3
InChIKeyLDWSTFVSAKAZFW-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.59
Rot. Bonds3

About N-butan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine

N-butan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 79677248) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-butan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound NameN-butan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID79677248
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-butan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCCC(C)NC1C2CNCC21
InChIInChI=1S/C9H18N2/c1-3-6(2)11-9-7-4-10-5-8(7)9/h6-11H,3-5H2,1-2H3
InChIKeyLDWSTFVSAKAZFW-UHFFFAOYSA-N
XLogP0.59
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of N-butan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine (CID 79677248) is N-butan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for N-butan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for N-butan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine is CCC(C)NC1C2CNCC21.
What is the InChIKey of N-butan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is LDWSTFVSAKAZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-6(2)11-9-7-4-10-5-8(7)9/h6-11H,3-5H2,1-2H3.
What are the key properties of N-butan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine?
N-butan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 154.26 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 79677248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).