16-decyl-11,13-diazatricyclo[9.5.0.012,14]hexadecane

C24H46N2 — CID 134242210

IUPAC16-decyl-11,13-diazatricyclo[9.5.0.012,14]hexadecane
SMILESCCCCCCCCCCC1CC2NC2N2CCCCCCCCCC12
InChIInChI=1S/C24H46N2/c1-2-3-4-5-6-8-11-14-17-21-20-22-24(25-22)26-19-16-13-10-7-9-12-15-18-23(21)26/h21-25H,2-20H2,1H3
InChIKeyKIVXIOKKQUTIEM-UHFFFAOYSA-N
MW362.65 g/mol
LogP6.64
Rot. Bonds9

About 16-decyl-11,13-diazatricyclo[9.5.0.012,14]hexadecane

16-decyl-11,13-diazatricyclo[9.5.0.012,14]hexadecane (PubChem CID 134242210) has the molecular formula C24H46N2 and a molecular weight of 362.65 g/mol. Its IUPAC name is 16-decyl-11,13-diazatricyclo[9.5.0.012,14]hexadecane.

Molecular Properties

Compound Name16-decyl-11,13-diazatricyclo[9.5.0.012,14]hexadecane
PubChem CID134242210
Molecular FormulaC24H46N2
Molecular Weight362.65 g/mol
Exact Mass362.37
IUPAC Name16-decyl-11,13-diazatricyclo[9.5.0.012,14]hexadecane
SMILESCCCCCCCCCCC1CC2NC2N2CCCCCCCCCC12
InChIInChI=1S/C24H46N2/c1-2-3-4-5-6-8-11-14-17-21-20-22-24(25-22)26-19-16-13-10-7-9-12-15-18-23(21)26/h21-25H,2-20H2,1H3
InChIKeyKIVXIOKKQUTIEM-UHFFFAOYSA-N
XLogP6.64
TPSA25.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 101105424
2-(6-ethyl-5-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol
CID 85205277
1-ethyl-2-hexadecylpiperidine
CID 159279911
1-heptyl-2-pentylcyclopentane
CID 102061725
1-octyl-2-pentylcyclopentane
CID 170668279
1,2-diheptylcyclopentane
CID 102061720
2-(6-butyl-5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)ethanol
CID 91735954
1,2-dioctylcyclopropane
CID 21337627
1-hexyl-2-undecylcyclopropane
CID 58049498
1-bromo-2-dodecylcycloheptane
CID 63471441
3-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 67906511

Frequently Asked Questions

What is the IUPAC name of 16-decyl-11,13-diazatricyclo[9.5.0.012,14]hexadecane?
The IUPAC name of 16-decyl-11,13-diazatricyclo[9.5.0.012,14]hexadecane (CID 134242210) is 16-decyl-11,13-diazatricyclo[9.5.0.012,14]hexadecane.
What is the SMILES notation for 16-decyl-11,13-diazatricyclo[9.5.0.012,14]hexadecane?
The canonical SMILES for 16-decyl-11,13-diazatricyclo[9.5.0.012,14]hexadecane is CCCCCCCCCCC1CC2NC2N2CCCCCCCCCC12.
What is the InChIKey of 16-decyl-11,13-diazatricyclo[9.5.0.012,14]hexadecane?
The InChIKey is KIVXIOKKQUTIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2/c1-2-3-4-5-6-8-11-14-17-21-20-22-24(25-22)26-19-16-13-10-7-9-12-15-18-23(21)26/h21-25H,2-20H2,1H3.
What are the key properties of 16-decyl-11,13-diazatricyclo[9.5.0.012,14]hexadecane?
16-decyl-11,13-diazatricyclo[9.5.0.012,14]hexadecane has a molecular weight of 362.65 g/mol, XLogP of 6.64, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-decyl-11,13-diazatricyclo[9.5.0.012,14]hexadecane is sourced from PubChem (CID 134242210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).