(2Z,4Z,6Z)-11-methyl-11-propan-2-yl-10-azabicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene

C16H19N — CID 145149108

IUPAC(2Z,4Z,6Z)-11-methyl-11-propan-2-yl-10-azabicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene
SMILESCC(C)C1(C)C=CC2=C(C=N1)/C=C\C=C/C=C\2
InChIInChI=1S/C16H19N/c1-13(2)16(3)11-10-14-8-6-4-5-7-9-15(14)12-17-16/h4-13H,1-3H3/b5-4-,6-4-,7-5-,8-6-,9-7-,14-8-,15-9-
InChIKeyKEQLXXFBTSAEOF-FEDNHLLISA-N
MW225.34 g/mol
LogP4.02
Rot. Bonds1

About (2Z,4Z,6Z)-11-methyl-11-propan-2-yl-10-azabicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene

(2Z,4Z,6Z)-11-methyl-11-propan-2-yl-10-azabicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene (PubChem CID 145149108) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is (2Z,4Z,6Z)-11-methyl-11-propan-2-yl-10-azabicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene.

Molecular Properties

Compound Name(2Z,4Z,6Z)-11-methyl-11-propan-2-yl-10-azabicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene
PubChem CID145149108
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name(2Z,4Z,6Z)-11-methyl-11-propan-2-yl-10-azabicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene
SMILESCC(C)C1(C)C=CC2=C(C=N1)/C=C\C=C/C=C\2
InChIInChI=1S/C16H19N/c1-13(2)16(3)11-10-14-8-6-4-5-7-9-15(14)12-17-16/h4-13H,1-3H3/b5-4-,6-4-,7-5-,8-6-,9-7-,14-8-,15-9-
InChIKeyKEQLXXFBTSAEOF-FEDNHLLISA-N
XLogP4.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2Z,4Z,6Z)-11-methyl-11-propan-2-yl-10-azabicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene with MolForge

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Related Compounds

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CID 88562301
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CID 90685841
2-Ethyl-2,4,7,7-tetramethylazocine
CID 90979377
2,6-Dimethyl-2-propan-2-ylazepine
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2-Ethyl-2,6-dimethylazepine
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2,2,6-Trimethylazepine
CID 123809857
N-[(E)-but-2-enyl]-1-[(4S)-4-methylcyclohexa-1,5-dien-1-yl]methanimine
CID 129208631
(E)-4-methyl-N-[5-methyl-5-propan-2-yl-2-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]pent-2-en-1-imine
CID 132153104
(2Z,3Z,5Z)-2-ethylidene-N,7-dimethylnona-3,5-dien-1-imine
CID 132215151
(2Z,4Z,6Z)-N-ethyl-3-methyl-2-propylidenenona-4,6,8-trien-1-imine
CID 138718519
(5Z,7Z)-3,4,9,9-tetramethyl-3,4-dihydroazonine
CID 141998246

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6Z)-11-methyl-11-propan-2-yl-10-azabicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene?
The IUPAC name of (2Z,4Z,6Z)-11-methyl-11-propan-2-yl-10-azabicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene (CID 145149108) is (2Z,4Z,6Z)-11-methyl-11-propan-2-yl-10-azabicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene.
What is the SMILES notation for (2Z,4Z,6Z)-11-methyl-11-propan-2-yl-10-azabicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene?
The canonical SMILES for (2Z,4Z,6Z)-11-methyl-11-propan-2-yl-10-azabicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene is CC(C)C1(C)C=CC2=C(C=N1)/C=C\C=C/C=C\2.
What is the InChIKey of (2Z,4Z,6Z)-11-methyl-11-propan-2-yl-10-azabicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene?
The InChIKey is KEQLXXFBTSAEOF-FEDNHLLISA-N. The full InChI is InChI=1S/C16H19N/c1-13(2)16(3)11-10-14-8-6-4-5-7-9-15(14)12-17-16/h4-13H,1-3H3/b5-4-,6-4-,7-5-,8-6-,9-7-,14-8-,15-9-.
What are the key properties of (2Z,4Z,6Z)-11-methyl-11-propan-2-yl-10-azabicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene?
(2Z,4Z,6Z)-11-methyl-11-propan-2-yl-10-azabicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene has a molecular weight of 225.34 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6Z)-11-methyl-11-propan-2-yl-10-azabicyclo[6.5.0]trideca-1(8),2,4,6,9,12-hexaene is sourced from PubChem (CID 145149108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).