N,4,7-trimethyl-7-azabicyclo[4.1.0]heptan-2-amine

C9H18N2 — CID 163883093

IUPACN,4,7-trimethyl-7-azabicyclo[4.1.0]heptan-2-amine
SMILESCNC1CC(C)CC2C1N2C
InChIInChI=1S/C9H18N2/c1-6-4-7(10-2)9-8(5-6)11(9)3/h6-10H,4-5H2,1-3H3
InChIKeyPUZCVVCAWVEWOZ-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.69
Rot. Bonds1

About N,4,7-trimethyl-7-azabicyclo[4.1.0]heptan-2-amine

N,4,7-trimethyl-7-azabicyclo[4.1.0]heptan-2-amine (PubChem CID 163883093) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N,4,7-trimethyl-7-azabicyclo[4.1.0]heptan-2-amine.

Molecular Properties

Compound NameN,4,7-trimethyl-7-azabicyclo[4.1.0]heptan-2-amine
PubChem CID163883093
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN,4,7-trimethyl-7-azabicyclo[4.1.0]heptan-2-amine
SMILESCNC1CC(C)CC2C1N2C
InChIInChI=1S/C9H18N2/c1-6-4-7(10-2)9-8(5-6)11(9)3/h6-10H,4-5H2,1-3H3
InChIKeyPUZCVVCAWVEWOZ-UHFFFAOYSA-N
XLogP0.69
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,4,7-trimethyl-7-azabicyclo[4.1.0]heptan-2-amine?
The IUPAC name of N,4,7-trimethyl-7-azabicyclo[4.1.0]heptan-2-amine (CID 163883093) is N,4,7-trimethyl-7-azabicyclo[4.1.0]heptan-2-amine.
What is the SMILES notation for N,4,7-trimethyl-7-azabicyclo[4.1.0]heptan-2-amine?
The canonical SMILES for N,4,7-trimethyl-7-azabicyclo[4.1.0]heptan-2-amine is CNC1CC(C)CC2C1N2C.
What is the InChIKey of N,4,7-trimethyl-7-azabicyclo[4.1.0]heptan-2-amine?
The InChIKey is PUZCVVCAWVEWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-6-4-7(10-2)9-8(5-6)11(9)3/h6-10H,4-5H2,1-3H3.
What are the key properties of N,4,7-trimethyl-7-azabicyclo[4.1.0]heptan-2-amine?
N,4,7-trimethyl-7-azabicyclo[4.1.0]heptan-2-amine has a molecular weight of 154.26 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,7-trimethyl-7-azabicyclo[4.1.0]heptan-2-amine is sourced from PubChem (CID 163883093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).