(1-methoxycyclooctyl)methanamine

C10H21NO — CID 15495976

IUPAC(1-methoxycyclooctyl)methanamine
SMILESCOC1(CN)CCCCCCC1
InChIInChI=1S/C10H21NO/c1-12-10(9-11)7-5-3-2-4-6-8-10/h2-9,11H2,1H3
InChIKeyBOXHPWUTUFLAIK-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.07
Rot. Bonds2

About (1-methoxycyclooctyl)methanamine

(1-methoxycyclooctyl)methanamine (PubChem CID 15495976) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (1-methoxycyclooctyl)methanamine.

Molecular Properties

Compound Name(1-methoxycyclooctyl)methanamine
PubChem CID15495976
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(1-methoxycyclooctyl)methanamine
SMILESCOC1(CN)CCCCCCC1
InChIInChI=1S/C10H21NO/c1-12-10(9-11)7-5-3-2-4-6-8-10/h2-9,11H2,1H3
InChIKeyBOXHPWUTUFLAIK-UHFFFAOYSA-N
XLogP2.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclooctyl)methanamine?
The IUPAC name of (1-methoxycyclooctyl)methanamine (CID 15495976) is (1-methoxycyclooctyl)methanamine.
What is the SMILES notation for (1-methoxycyclooctyl)methanamine?
The canonical SMILES for (1-methoxycyclooctyl)methanamine is COC1(CN)CCCCCCC1.
What is the InChIKey of (1-methoxycyclooctyl)methanamine?
The InChIKey is BOXHPWUTUFLAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-12-10(9-11)7-5-3-2-4-6-8-10/h2-9,11H2,1H3.
What are the key properties of (1-methoxycyclooctyl)methanamine?
(1-methoxycyclooctyl)methanamine has a molecular weight of 171.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclooctyl)methanamine is sourced from PubChem (CID 15495976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).