3,10-bis(prop-2-enyl)-1,3,5,8,10,12-hexazacyclotetradecane

C14H30N6 — CID 18186117

IUPAC3,10-bis(prop-2-enyl)-1,3,5,8,10,12-hexazacyclotetradecane
SMILESC=CCN1CNCCNCN(CC=C)CNCCNC1
InChIInChI=1S/C14H30N6/c1-3-9-19-11-15-5-7-17-13-20(10-4-2)14-18-8-6-16-12-19/h3-4,15-18H,1-2,5-14H2
InChIKeyLHGQXRVPPLRMDD-UHFFFAOYSA-N
MW282.44 g/mol
LogP-0.84
Rot. Bonds4

About 3,10-bis(prop-2-enyl)-1,3,5,8,10,12-hexazacyclotetradecane

3,10-bis(prop-2-enyl)-1,3,5,8,10,12-hexazacyclotetradecane (PubChem CID 18186117) has the molecular formula C14H30N6 and a molecular weight of 282.44 g/mol. Its IUPAC name is 3,10-bis(prop-2-enyl)-1,3,5,8,10,12-hexazacyclotetradecane.

Molecular Properties

Compound Name3,10-bis(prop-2-enyl)-1,3,5,8,10,12-hexazacyclotetradecane
PubChem CID18186117
Molecular FormulaC14H30N6
Molecular Weight282.44 g/mol
Exact Mass282.25
IUPAC Name3,10-bis(prop-2-enyl)-1,3,5,8,10,12-hexazacyclotetradecane
SMILESC=CCN1CNCCNCN(CC=C)CNCCNC1
InChIInChI=1S/C14H30N6/c1-3-9-19-11-15-5-7-17-13-20(10-4-2)14-18-8-6-16-12-19/h3-4,15-18H,1-2,5-14H2
InChIKeyLHGQXRVPPLRMDD-UHFFFAOYSA-N
XLogP-0.84
TPSA54.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.44
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 3,10-bis(prop-2-enyl)-1,3,5,8,10,12-hexazacyclotetradecane?
The IUPAC name of 3,10-bis(prop-2-enyl)-1,3,5,8,10,12-hexazacyclotetradecane (CID 18186117) is 3,10-bis(prop-2-enyl)-1,3,5,8,10,12-hexazacyclotetradecane.
What is the SMILES notation for 3,10-bis(prop-2-enyl)-1,3,5,8,10,12-hexazacyclotetradecane?
The canonical SMILES for 3,10-bis(prop-2-enyl)-1,3,5,8,10,12-hexazacyclotetradecane is C=CCN1CNCCNCN(CC=C)CNCCNC1.
What is the InChIKey of 3,10-bis(prop-2-enyl)-1,3,5,8,10,12-hexazacyclotetradecane?
The InChIKey is LHGQXRVPPLRMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N6/c1-3-9-19-11-15-5-7-17-13-20(10-4-2)14-18-8-6-16-12-19/h3-4,15-18H,1-2,5-14H2.
What are the key properties of 3,10-bis(prop-2-enyl)-1,3,5,8,10,12-hexazacyclotetradecane?
3,10-bis(prop-2-enyl)-1,3,5,8,10,12-hexazacyclotetradecane has a molecular weight of 282.44 g/mol, XLogP of -0.84, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-bis(prop-2-enyl)-1,3,5,8,10,12-hexazacyclotetradecane is sourced from PubChem (CID 18186117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).