(2-ethyl-2-bicyclo[3.1.0]hexanyl)methanamine

C9H17N — CID 58534620

IUPAC(2-ethyl-2-bicyclo[3.1.0]hexanyl)methanamine
SMILESCCC1(CN)CCC2CC21
InChIInChI=1S/C9H17N/c1-2-9(6-10)4-3-7-5-8(7)9/h7-8H,2-6,10H2,1H3
InChIKeyUSMLXRBARNYSEU-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.77
Rot. Bonds2

About (2-ethyl-2-bicyclo[3.1.0]hexanyl)methanamine

(2-ethyl-2-bicyclo[3.1.0]hexanyl)methanamine (PubChem CID 58534620) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2-ethyl-2-bicyclo[3.1.0]hexanyl)methanamine.

Molecular Properties

Compound Name(2-ethyl-2-bicyclo[3.1.0]hexanyl)methanamine
PubChem CID58534620
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2-ethyl-2-bicyclo[3.1.0]hexanyl)methanamine
SMILESCCC1(CN)CCC2CC21
InChIInChI=1S/C9H17N/c1-2-9(6-10)4-3-7-5-8(7)9/h7-8H,2-6,10H2,1H3
InChIKeyUSMLXRBARNYSEU-UHFFFAOYSA-N
XLogP1.77
TPSA26.02 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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2-bicyclo[3.1.0]hexanyl)methanamine?
The IUPAC name of (2-ethyl-2-bicyclo[3.1.0]hexanyl)methanamine (CID 58534620) is (2-ethyl-2-bicyclo[3.1.0]hexanyl)methanamine.
What is the SMILES notation for (2-ethyl-2-bicyclo[3.1.0]hexanyl)methanamine?
The canonical SMILES for (2-ethyl-2-bicyclo[3.1.0]hexanyl)methanamine is CCC1(CN)CCC2CC21.
What is the InChIKey of (2-ethyl-2-bicyclo[3.1.0]hexanyl)methanamine?
The InChIKey is USMLXRBARNYSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-2-9(6-10)4-3-7-5-8(7)9/h7-8H,2-6,10H2,1H3.
What are the key properties of (2-ethyl-2-bicyclo[3.1.0]hexanyl)methanamine?
(2-ethyl-2-bicyclo[3.1.0]hexanyl)methanamine has a molecular weight of 139.24 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2-bicyclo[3.1.0]hexanyl)methanamine is sourced from PubChem (CID 58534620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).