N-prop-2-enylcyclooctanamine

C11H21N — CID 15749643

IUPACN-prop-2-enylcyclooctanamine
SMILESC=CCNC1CCCCCCC1
InChIInChI=1S/C11H21N/c1-2-10-12-11-8-6-4-3-5-7-9-11/h2,11-12H,1,3-10H2
InChIKeyYOUMYWCRQRYICW-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.87
Rot. Bonds3

About N-prop-2-enylcyclooctanamine

N-prop-2-enylcyclooctanamine (PubChem CID 15749643) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-prop-2-enylcyclooctanamine.

Molecular Properties

Compound NameN-prop-2-enylcyclooctanamine
PubChem CID15749643
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-prop-2-enylcyclooctanamine
SMILESC=CCNC1CCCCCCC1
InChIInChI=1S/C11H21N/c1-2-10-12-11-8-6-4-3-5-7-9-11/h2,11-12H,1,3-10H2
InChIKeyYOUMYWCRQRYICW-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylcyclooctanamine?
The IUPAC name of N-prop-2-enylcyclooctanamine (CID 15749643) is N-prop-2-enylcyclooctanamine.
What is the SMILES notation for N-prop-2-enylcyclooctanamine?
The canonical SMILES for N-prop-2-enylcyclooctanamine is C=CCNC1CCCCCCC1.
What is the InChIKey of N-prop-2-enylcyclooctanamine?
The InChIKey is YOUMYWCRQRYICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-2-10-12-11-8-6-4-3-5-7-9-11/h2,11-12H,1,3-10H2.
What are the key properties of N-prop-2-enylcyclooctanamine?
N-prop-2-enylcyclooctanamine has a molecular weight of 167.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylcyclooctanamine is sourced from PubChem (CID 15749643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).