1-(aminomethyl)cyclooctan-1-amine

C9H20N2 — CID 3062925

IUPAC1-(aminomethyl)cyclooctan-1-amine
SMILESNCC1(N)CCCCCCC1
InChIInChI=1S/C9H20N2/c10-8-9(11)6-4-2-1-3-5-7-9/h1-8,10-11H2
InChIKeyJDPOGMLCKVQEPW-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.39
Rot. Bonds1

About 1-(aminomethyl)cyclooctan-1-amine

1-(aminomethyl)cyclooctan-1-amine (PubChem CID 3062925) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-(aminomethyl)cyclooctan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)cyclooctan-1-amine
PubChem CID3062925
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-(aminomethyl)cyclooctan-1-amine
SMILESNCC1(N)CCCCCCC1
InChIInChI=1S/C9H20N2/c10-8-9(11)6-4-2-1-3-5-7-9/h1-8,10-11H2
InChIKeyJDPOGMLCKVQEPW-UHFFFAOYSA-N
XLogP1.39
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)cyclooctan-1-amine?
The IUPAC name of 1-(aminomethyl)cyclooctan-1-amine (CID 3062925) is 1-(aminomethyl)cyclooctan-1-amine.
What is the SMILES notation for 1-(aminomethyl)cyclooctan-1-amine?
The canonical SMILES for 1-(aminomethyl)cyclooctan-1-amine is NCC1(N)CCCCCCC1.
What is the InChIKey of 1-(aminomethyl)cyclooctan-1-amine?
The InChIKey is JDPOGMLCKVQEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c10-8-9(11)6-4-2-1-3-5-7-9/h1-8,10-11H2.
What are the key properties of 1-(aminomethyl)cyclooctan-1-amine?
1-(aminomethyl)cyclooctan-1-amine has a molecular weight of 156.27 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)cyclooctan-1-amine is sourced from PubChem (CID 3062925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).