1-methylspiro[3.4]octan-3-amine

C9H17N — CID 20705201

IUPAC1-methylspiro[3.4]octan-3-amine
SMILESCC1CC(N)C12CCCC2
InChIInChI=1S/C9H17N/c1-7-6-8(10)9(7)4-2-3-5-9/h7-8H,2-6,10H2,1H3
InChIKeyIVCVHJBOBXQBET-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.91
Rot. Bonds

About 1-methylspiro[3.4]octan-3-amine

1-methylspiro[3.4]octan-3-amine (PubChem CID 20705201) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-methylspiro[3.4]octan-3-amine.

Molecular Properties

Compound Name1-methylspiro[3.4]octan-3-amine
PubChem CID20705201
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-methylspiro[3.4]octan-3-amine
SMILESCC1CC(N)C12CCCC2
InChIInChI=1S/C9H17N/c1-7-6-8(10)9(7)4-2-3-5-9/h7-8H,2-6,10H2,1H3
InChIKeyIVCVHJBOBXQBET-UHFFFAOYSA-N
XLogP1.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylspiro[3.4]octan-3-amine?
The IUPAC name of 1-methylspiro[3.4]octan-3-amine (CID 20705201) is 1-methylspiro[3.4]octan-3-amine.
What is the SMILES notation for 1-methylspiro[3.4]octan-3-amine?
The canonical SMILES for 1-methylspiro[3.4]octan-3-amine is CC1CC(N)C12CCCC2.
What is the InChIKey of 1-methylspiro[3.4]octan-3-amine?
The InChIKey is IVCVHJBOBXQBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7-6-8(10)9(7)4-2-3-5-9/h7-8H,2-6,10H2,1H3.
What are the key properties of 1-methylspiro[3.4]octan-3-amine?
1-methylspiro[3.4]octan-3-amine has a molecular weight of 139.24 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylspiro[3.4]octan-3-amine is sourced from PubChem (CID 20705201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).