(1-methylcyclooctyl)methanamine

C10H21N — CID 80603984

IUPAC(1-methylcyclooctyl)methanamine
SMILESCC1(CN)CCCCCCC1
InChIInChI=1S/C10H21N/c1-10(9-11)7-5-3-2-4-6-8-10/h2-9,11H2,1H3
InChIKeyMIBUYJFUZBQMCA-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.70
Rot. Bonds1

About (1-methylcyclooctyl)methanamine

(1-methylcyclooctyl)methanamine (PubChem CID 80603984) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (1-methylcyclooctyl)methanamine.

Molecular Properties

Compound Name(1-methylcyclooctyl)methanamine
PubChem CID80603984
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(1-methylcyclooctyl)methanamine
SMILESCC1(CN)CCCCCCC1
InChIInChI=1S/C10H21N/c1-10(9-11)7-5-3-2-4-6-8-10/h2-9,11H2,1H3
InChIKeyMIBUYJFUZBQMCA-UHFFFAOYSA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclooctyl)methanamine?
The IUPAC name of (1-methylcyclooctyl)methanamine (CID 80603984) is (1-methylcyclooctyl)methanamine.
What is the SMILES notation for (1-methylcyclooctyl)methanamine?
The canonical SMILES for (1-methylcyclooctyl)methanamine is CC1(CN)CCCCCCC1.
What is the InChIKey of (1-methylcyclooctyl)methanamine?
The InChIKey is MIBUYJFUZBQMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-10(9-11)7-5-3-2-4-6-8-10/h2-9,11H2,1H3.
What are the key properties of (1-methylcyclooctyl)methanamine?
(1-methylcyclooctyl)methanamine has a molecular weight of 155.28 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclooctyl)methanamine is sourced from PubChem (CID 80603984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).