10-methyl-6-(4-methylpent-3-enyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene

C16H27N3 — CID 71595998

IUPAC10-methyl-6-(4-methylpent-3-enyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene
SMILESCC(C)=CCCC1CC2CCC3CC(C)NC(=N1)N23
InChIInChI=1S/C16H27N3/c1-11(2)5-4-6-13-10-15-8-7-14-9-12(3)17-16(18-13)19(14)15/h5,12-15H,4,6-10H2,1-3H3,(H,17,18)
InChIKeyHTDWIVAXBXFKBP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.08
Rot. Bonds3

About 10-methyl-6-(4-methylpent-3-enyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene

10-methyl-6-(4-methylpent-3-enyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene (PubChem CID 71595998) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 10-methyl-6-(4-methylpent-3-enyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene.

Molecular Properties

Compound Name10-methyl-6-(4-methylpent-3-enyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene
PubChem CID71595998
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name10-methyl-6-(4-methylpent-3-enyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene
SMILESCC(C)=CCCC1CC2CCC3CC(C)NC(=N1)N23
InChIInChI=1S/C16H27N3/c1-11(2)5-4-6-13-10-15-8-7-14-9-12(3)17-16(18-13)19(14)15/h5,12-15H,4,6-10H2,1-3H3,(H,17,18)
InChIKeyHTDWIVAXBXFKBP-UHFFFAOYSA-N
XLogP3.08
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 10-methyl-6-(4-methylpent-3-enyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,4S,6R,10R)-6-[(E)-hept-4-enyl]-10-heptyl-7,9-diaza-12-azoniatricyclo[6.3.1.04,12]dodec-8(12)-ene
CID 44195966
(1R,4S,6R,10S)-6,10-bis(but-3-enyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene
CID 71596227
(1R,4S,6R,10S)-6,10-bis(4-methylpent-3-enyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene
CID 71596228
11-Methyl-3-(4-methylpent-3-enyl)-2,12,13-triazatricyclo[7.3.1.05,13]tridec-1-ene
CID 71596436
4-Hexyl-1-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,5-a]pyridin-4-ium
CID 176569506
(1R,4S,6R,10S)-6-but-3-enyl-10-methyl-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene
CID 71653533
(1R,4S,6R,10S)-10-methyl-6-(4-methylpent-3-enyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene
CID 71653534
(3S,5R,9S,11R)-11-methyl-3-(4-methylpent-3-enyl)-2,12,13-triazatricyclo[7.3.1.05,13]tridec-1-ene
CID 71653677
6-Hept-4-enyl-10-heptyl-7,9-diaza-12-azoniatricyclo[6.3.1.04,12]dodec-8(12)-ene
CID 74947851
(1S,4S,6R,10R)-6-methyl-10-(4-methylpent-3-enyl)-7,9-diaza-12-azoniatricyclo[6.3.1.04,12]dodec-8(12)-ene
CID 101399528
(1S,4R,6S,10S)-6-[(E)-hept-4-enyl]-10-heptyl-7,9-diaza-12-azoniatricyclo[6.3.1.04,12]dodec-8(12)-ene
CID 101480506
1-[2-(Cyclohexen-1-yl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018460

Frequently Asked Questions

What is the IUPAC name of 10-methyl-6-(4-methylpent-3-enyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene?
The IUPAC name of 10-methyl-6-(4-methylpent-3-enyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene (CID 71595998) is 10-methyl-6-(4-methylpent-3-enyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene.
What is the SMILES notation for 10-methyl-6-(4-methylpent-3-enyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene?
The canonical SMILES for 10-methyl-6-(4-methylpent-3-enyl)-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-methylpent-3-enyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene?
The InChIKey is HTDWIVAXBXFKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-11(2)5-4-6-13-10-15-8-7-14-9-12(3)17-16(18-13)19(14)15/h5,12-15H,4,6-10H2,1-3H3,(H,17,18).
What are the key properties of 10-methyl-6-(4-methylpent-3-enyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene?
10-methyl-6-(4-methylpent-3-enyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene has a molecular weight of 261.41 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-6-(4-methylpent-3-enyl)-7,9,12-triazatricyclo[6.3.1.04,12]dodec-7-ene is sourced from PubChem (CID 71595998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).