N-(2-methylpropyl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine

C12H24N2 — CID 58912879

IUPACN-(2-methylpropyl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCC(C)CNC1C2CN(C(C)C)CC21
InChIInChI=1S/C12H24N2/c1-8(2)5-13-12-10-6-14(9(3)4)7-11(10)12/h8-13H,5-7H2,1-4H3
InChIKeyQATJSAZGRGALRM-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.57
Rot. Bonds4

About N-(2-methylpropyl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine

N-(2-methylpropyl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 58912879) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID58912879
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-(2-methylpropyl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCC(C)CNC1C2CN(C(C)C)CC21
InChIInChI=1S/C12H24N2/c1-8(2)5-13-12-10-6-14(9(3)4)7-11(10)12/h8-13H,5-7H2,1-4H3
InChIKeyQATJSAZGRGALRM-UHFFFAOYSA-N
XLogP1.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of N-(2-methylpropyl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine (CID 58912879) is N-(2-methylpropyl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for N-(2-methylpropyl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for N-(2-methylpropyl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine is CC(C)CNC1C2CN(C(C)C)CC21.
What is the InChIKey of N-(2-methylpropyl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is QATJSAZGRGALRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-8(2)5-13-12-10-6-14(9(3)4)7-11(10)12/h8-13H,5-7H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine?
N-(2-methylpropyl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 196.34 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 58912879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).