10-methyl-6-(4-methylpentyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene

C16H29N3 — CID 71595969

IUPAC10-methyl-6-(4-methylpentyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene
SMILESCC(C)CCCC1CC2CCC3CC(C)NC(=N1)N23
InChIInChI=1S/C16H29N3/c1-11(2)5-4-6-13-10-15-8-7-14-9-12(3)17-16(18-13)19(14)15/h11-15H,4-10H2,1-3H3,(H,17,18)
InChIKeyDDUMSPRNSFRPSJ-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.16
Rot. Bonds4

About 10-methyl-6-(4-methylpentyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene

10-methyl-6-(4-methylpentyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene (PubChem CID 71595969) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 10-methyl-6-(4-methylpentyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene.

Molecular Properties

Compound Name10-methyl-6-(4-methylpentyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene
PubChem CID71595969
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name10-methyl-6-(4-methylpentyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene
SMILESCC(C)CCCC1CC2CCC3CC(C)NC(=N1)N23
InChIInChI=1S/C16H29N3/c1-11(2)5-4-6-13-10-15-8-7-14-9-12(3)17-16(18-13)19(14)15/h11-15H,4-10H2,1-3H3,(H,17,18)
InChIKeyDDUMSPRNSFRPSJ-UHFFFAOYSA-N
XLogP3.16
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10-methyl-6-(4-methylpentyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene with MolForge

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Related Compounds

Batzelladine K
CID 49765265
(1R,4S,6R,10S)-6,10-dibutyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene
CID 71595964
(1R,4S,6R,10S)-6,10-bis(4-methylpentyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene
CID 71595965
10-Methyl-6-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene
CID 71595996
(1R,4S,6R,10S)-6,10-di(nonyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene
CID 71596180
10-Methyl-6-pentyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene
CID 71596181
(1R,4S,6R,10S)-6,10-bis(but-3-ynyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene
CID 71596229
6-But-3-ynyl-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene
CID 71596466
(1R,4S,6R,10S)-6,10-dipentyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene
CID 71596519
6-(2-ethylhexyl)-3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine
CID 141373624
7-cyclohexyl-N-methyl-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-2-imine
CID 141946473
(1R,4S,6R,10S)-10-methyl-6-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene
CID 11034097

Frequently Asked Questions

What is the IUPAC name of 10-methyl-6-(4-methylpentyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene?
The IUPAC name of 10-methyl-6-(4-methylpentyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene (CID 71595969) is 10-methyl-6-(4-methylpentyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene.
What is the SMILES notation for 10-methyl-6-(4-methylpentyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene?
The canonical SMILES for 10-methyl-6-(4-methylpentyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene is CC(C)CCCC1CC2CCC3CC(C)NC(=N1)N23.
What is the InChIKey of 10-methyl-6-(4-methylpentyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene?
The InChIKey is DDUMSPRNSFRPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-11(2)5-4-6-13-10-15-8-7-14-9-12(3)17-16(18-13)19(14)15/h11-15H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 10-methyl-6-(4-methylpentyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene?
10-methyl-6-(4-methylpentyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene has a molecular weight of 263.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-6-(4-methylpentyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene is sourced from PubChem (CID 71595969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).