N-methyl-1-(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methanamine

C10H15N — CID 143275893

IUPACN-methyl-1-(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methanamine
SMILESCNCC1=CC2CC2(C)C=C1
InChIInChI=1S/C10H15N/c1-10-4-3-8(7-11-2)5-9(10)6-10/h3-5,9,11H,6-7H2,1-2H3
InChIKeyBTSOJXVOFRZLGW-UHFFFAOYSA-N
MW149.24 g/mol
LogP1.73
Rot. Bonds2

About N-methyl-1-(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methanamine

N-methyl-1-(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methanamine (PubChem CID 143275893) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-methyl-1-(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methanamine
PubChem CID143275893
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-methyl-1-(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methanamine
SMILESCNCC1=CC2CC2(C)C=C1
InChIInChI=1S/C10H15N/c1-10-4-3-8(7-11-2)5-9(10)6-10/h3-5,9,11H,6-7H2,1-2H3
InChIKeyBTSOJXVOFRZLGW-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methanamine?
The IUPAC name of N-methyl-1-(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methanamine (CID 143275893) is N-methyl-1-(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methanamine.
What is the SMILES notation for N-methyl-1-(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methanamine?
The canonical SMILES for N-methyl-1-(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methanamine is CNCC1=CC2CC2(C)C=C1.
What is the InChIKey of N-methyl-1-(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methanamine?
The InChIKey is BTSOJXVOFRZLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-10-4-3-8(7-11-2)5-9(10)6-10/h3-5,9,11H,6-7H2,1-2H3.
What are the key properties of N-methyl-1-(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methanamine?
N-methyl-1-(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methanamine has a molecular weight of 149.24 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)methanamine is sourced from PubChem (CID 143275893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).