6-methyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine

C10H20N2 — CID 134434650

IUPAC6-methyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine
SMILESCC(C)N1CC2CC(C1)C2(C)N
InChIInChI=1S/C10H20N2/c1-7(2)12-5-8-4-9(6-12)10(8,3)11/h7-9H,4-6,11H2,1-3H3
InChIKeyDQGVNVUNOPCOGT-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.06
Rot. Bonds1

About 6-methyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine

6-methyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine (PubChem CID 134434650) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 6-methyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine.

Molecular Properties

Compound Name6-methyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine
PubChem CID134434650
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name6-methyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine
SMILESCC(C)N1CC2CC(C1)C2(C)N
InChIInChI=1S/C10H20N2/c1-7(2)12-5-8-4-9(6-12)10(8,3)11/h7-9H,4-6,11H2,1-3H3
InChIKeyDQGVNVUNOPCOGT-UHFFFAOYSA-N
XLogP1.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine?
The IUPAC name of 6-methyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine (CID 134434650) is 6-methyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine.
What is the SMILES notation for 6-methyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine?
The canonical SMILES for 6-methyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine is CC(C)N1CC2CC(C1)C2(C)N.
What is the InChIKey of 6-methyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine?
The InChIKey is DQGVNVUNOPCOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-7(2)12-5-8-4-9(6-12)10(8,3)11/h7-9H,4-6,11H2,1-3H3.
What are the key properties of 6-methyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine?
6-methyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine has a molecular weight of 168.28 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine is sourced from PubChem (CID 134434650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).