2,2-bis(prop-2-enyl)-azacyclotridecane

C18H33N — CID 3640984

IUPAC2,2-bis(prop-2-enyl)-azacyclotridecane
SMILESC=CCC1(CC=C)CCCCCCCCCCCN1
InChIInChI=1S/C18H33N/c1-3-14-18(15-4-2)16-12-10-8-6-5-7-9-11-13-17-19-18/h3-4,19H,1-2,5-17H2
InChIKeyNWIASTZNEMQLCN-UHFFFAOYSA-N
MW263.47 g/mol
LogP5.38
Rot. Bonds4

About 2,2-bis(prop-2-enyl)-azacyclotridecane

2,2-bis(prop-2-enyl)-azacyclotridecane (PubChem CID 3640984) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is 2,2-bis(prop-2-enyl)-azacyclotridecane.

Molecular Properties

Compound Name2,2-bis(prop-2-enyl)-azacyclotridecane
PubChem CID3640984
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name2,2-bis(prop-2-enyl)-azacyclotridecane
SMILESC=CCC1(CC=C)CCCCCCCCCCCN1
InChIInChI=1S/C18H33N/c1-3-14-18(15-4-2)16-12-10-8-6-5-7-9-11-13-17-19-18/h3-4,19H,1-2,5-17H2
InChIKeyNWIASTZNEMQLCN-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.38
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 2,2-bis(prop-2-enyl)-azacyclotridecane?
The IUPAC name of 2,2-bis(prop-2-enyl)-azacyclotridecane (CID 3640984) is 2,2-bis(prop-2-enyl)-azacyclotridecane.
What is the SMILES notation for 2,2-bis(prop-2-enyl)-azacyclotridecane?
The canonical SMILES for 2,2-bis(prop-2-enyl)-azacyclotridecane is C=CCC1(CC=C)CCCCCCCCCCCN1.
What is the InChIKey of 2,2-bis(prop-2-enyl)-azacyclotridecane?
The InChIKey is NWIASTZNEMQLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-3-14-18(15-4-2)16-12-10-8-6-5-7-9-11-13-17-19-18/h3-4,19H,1-2,5-17H2.
What are the key properties of 2,2-bis(prop-2-enyl)-azacyclotridecane?
2,2-bis(prop-2-enyl)-azacyclotridecane has a molecular weight of 263.47 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(prop-2-enyl)-azacyclotridecane is sourced from PubChem (CID 3640984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).