2-methoxycycloheptan-1-amine

C8H17NO — CID 16788714

IUPAC2-methoxycycloheptan-1-amine
SMILESCOC1CCCCCC1N
InChIInChI=1S/C8H17NO/c1-10-8-6-4-2-3-5-7(8)9/h7-8H,2-6,9H2,1H3
InChIKeyVAPWMUWLKYOLFO-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.29
Rot. Bonds1

About 2-methoxycycloheptan-1-amine

2-methoxycycloheptan-1-amine (PubChem CID 16788714) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-methoxycycloheptan-1-amine.

Molecular Properties

Compound Name2-methoxycycloheptan-1-amine
PubChem CID16788714
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-methoxycycloheptan-1-amine
SMILESCOC1CCCCCC1N
InChIInChI=1S/C8H17NO/c1-10-8-6-4-2-3-5-7(8)9/h7-8H,2-6,9H2,1H3
InChIKeyVAPWMUWLKYOLFO-UHFFFAOYSA-N
XLogP1.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxycycloheptan-1-amine?
The IUPAC name of 2-methoxycycloheptan-1-amine (CID 16788714) is 2-methoxycycloheptan-1-amine.
What is the SMILES notation for 2-methoxycycloheptan-1-amine?
The canonical SMILES for 2-methoxycycloheptan-1-amine is COC1CCCCCC1N.
What is the InChIKey of 2-methoxycycloheptan-1-amine?
The InChIKey is VAPWMUWLKYOLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-10-8-6-4-2-3-5-7(8)9/h7-8H,2-6,9H2,1H3.
What are the key properties of 2-methoxycycloheptan-1-amine?
2-methoxycycloheptan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycycloheptan-1-amine is sourced from PubChem (CID 16788714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).