N-methyl-1-[(2S)-1-methyl-2-bicyclo[3.1.0]hexanyl]methanamine

C9H17N — CID 130336467

IUPACN-methyl-1-[(2S)-1-methyl-2-bicyclo[3.1.0]hexanyl]methanamine
SMILESCNC[C@H]1CCC2CC21C
InChIInChI=1S/C9H17N/c1-9-5-7(9)3-4-8(9)6-10-2/h7-8,10H,3-6H2,1-2H3/t7?,8-,9?/m1/s1
InChIKeyMZMHUUUZQBJNPZ-QJAFJHJLSA-N
MW139.24 g/mol
LogP1.64
Rot. Bonds2

About N-methyl-1-[(2S)-1-methyl-2-bicyclo[3.1.0]hexanyl]methanamine

N-methyl-1-[(2S)-1-methyl-2-bicyclo[3.1.0]hexanyl]methanamine (PubChem CID 130336467) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-methyl-1-[(2S)-1-methyl-2-bicyclo[3.1.0]hexanyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(2S)-1-methyl-2-bicyclo[3.1.0]hexanyl]methanamine
PubChem CID130336467
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-methyl-1-[(2S)-1-methyl-2-bicyclo[3.1.0]hexanyl]methanamine
SMILESCNC[C@H]1CCC2CC21C
InChIInChI=1S/C9H17N/c1-9-5-7(9)3-4-8(9)6-10-2/h7-8,10H,3-6H2,1-2H3/t7?,8-,9?/m1/s1
InChIKeyMZMHUUUZQBJNPZ-QJAFJHJLSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2S)-1-methyl-2-bicyclo[3.1.0]hexanyl]methanamine?
The IUPAC name of N-methyl-1-[(2S)-1-methyl-2-bicyclo[3.1.0]hexanyl]methanamine (CID 130336467) is N-methyl-1-[(2S)-1-methyl-2-bicyclo[3.1.0]hexanyl]methanamine.
What is the SMILES notation for N-methyl-1-[(2S)-1-methyl-2-bicyclo[3.1.0]hexanyl]methanamine?
The canonical SMILES for N-methyl-1-[(2S)-1-methyl-2-bicyclo[3.1.0]hexanyl]methanamine is CNC[C@H]1CCC2CC21C.
What is the InChIKey of N-methyl-1-[(2S)-1-methyl-2-bicyclo[3.1.0]hexanyl]methanamine?
The InChIKey is MZMHUUUZQBJNPZ-QJAFJHJLSA-N. The full InChI is InChI=1S/C9H17N/c1-9-5-7(9)3-4-8(9)6-10-2/h7-8,10H,3-6H2,1-2H3/t7?,8-,9?/m1/s1.
What are the key properties of N-methyl-1-[(2S)-1-methyl-2-bicyclo[3.1.0]hexanyl]methanamine?
N-methyl-1-[(2S)-1-methyl-2-bicyclo[3.1.0]hexanyl]methanamine has a molecular weight of 139.24 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2S)-1-methyl-2-bicyclo[3.1.0]hexanyl]methanamine is sourced from PubChem (CID 130336467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).