10-ethyl-9-heptan-2-yl-5,7-diazatricyclo[6.3.1.04,12]dodec-6-en-6-amine

C19H35N3 — CID 73237825

IUPAC10-ethyl-9-heptan-2-yl-5,7-diazatricyclo[6.3.1.04,12]dodec-6-en-6-amine
SMILESCCCCCC(C)C1C(CC)CC2CCC3NC(N)=NC1C23
InChIInChI=1S/C19H35N3/c1-4-6-7-8-12(3)16-13(5-2)11-14-9-10-15-17(14)18(16)22-19(20)21-15/h12-18H,4-11H2,1-3H3,(H3,20,21,22)
InChIKeyPQDSEBCMPXDKMF-UHFFFAOYSA-N
MW305.51 g/mol
LogP3.93
Rot. Bonds6

About 10-ethyl-9-heptan-2-yl-5,7-diazatricyclo[6.3.1.04,12]dodec-6-en-6-amine

10-ethyl-9-heptan-2-yl-5,7-diazatricyclo[6.3.1.04,12]dodec-6-en-6-amine (PubChem CID 73237825) has the molecular formula C19H35N3 and a molecular weight of 305.51 g/mol. Its IUPAC name is 10-ethyl-9-heptan-2-yl-5,7-diazatricyclo[6.3.1.04,12]dodec-6-en-6-amine.

Molecular Properties

Compound Name10-ethyl-9-heptan-2-yl-5,7-diazatricyclo[6.3.1.04,12]dodec-6-en-6-amine
PubChem CID73237825
Molecular FormulaC19H35N3
Molecular Weight305.51 g/mol
Exact Mass305.28
IUPAC Name10-ethyl-9-heptan-2-yl-5,7-diazatricyclo[6.3.1.04,12]dodec-6-en-6-amine
SMILESCCCCCC(C)C1C(CC)CC2CCC3NC(N)=NC1C23
InChIInChI=1S/C19H35N3/c1-4-6-7-8-12(3)16-13(5-2)11-14-9-10-15-17(14)18(16)22-19(20)21-15/h12-18H,4-11H2,1-3H3,(H3,20,21,22)
InChIKeyPQDSEBCMPXDKMF-UHFFFAOYSA-N
XLogP3.93
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-pentan-2-yl-3-pentylcyclobutane
CID 123411322
1-ethyl-2-nonan-2-ylcyclopropane
CID 123964320
4-heptan-2-ylpiperidine
CID 143122379
1-heptan-2-yl-3-propylcyclobutane
CID 123811965
1-heptan-2-yl-2-methylcyclopropane
CID 91084036
octan-2-ylcyclopropane
CID 18968125
1-cyclopentyl-3-(4-heptan-2-ylcyclohexyl)cyclohexane
CID 163605877
1-ethyl-3-methyl-4-pentan-2-yl-2-propan-2-ylcyclopentane
CID 91297602
(1S,4S,8R,9S,10R,12R)-9-hexyl-10-methyl-5-aza-7-azoniatricyclo[6.3.1.04,12]dodec-6-en-6-amine
CID 171120685
5-pentan-2-yl-4,5-dihydro-1H-imidazol-2-amine
CID 79510805
3-ethyl-1-(3-tricyclo[3.2.1.02,4]octanyl)heptan-1-amine
CID 114097337
(2-ethylcyclohexyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine
CID 114097365

Frequently Asked Questions

What is the IUPAC name of 10-ethyl-9-heptan-2-yl-5,7-diazatricyclo[6.3.1.04,12]dodec-6-en-6-amine?
The IUPAC name of 10-ethyl-9-heptan-2-yl-5,7-diazatricyclo[6.3.1.04,12]dodec-6-en-6-amine (CID 73237825) is 10-ethyl-9-heptan-2-yl-5,7-diazatricyclo[6.3.1.04,12]dodec-6-en-6-amine.
What is the SMILES notation for 10-ethyl-9-heptan-2-yl-5,7-diazatricyclo[6.3.1.04,12]dodec-6-en-6-amine?
The canonical SMILES for 10-ethyl-9-heptan-2-yl-5,7-diazatricyclo[6.3.1.04,12]dodec-6-en-6-amine is CCCCCC(C)C1C(CC)CC2CCC3NC(N)=NC1C23.
What is the InChIKey of 10-ethyl-9-heptan-2-yl-5,7-diazatricyclo[6.3.1.04,12]dodec-6-en-6-amine?
The InChIKey is PQDSEBCMPXDKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3/c1-4-6-7-8-12(3)16-13(5-2)11-14-9-10-15-17(14)18(16)22-19(20)21-15/h12-18H,4-11H2,1-3H3,(H3,20,21,22).
What are the key properties of 10-ethyl-9-heptan-2-yl-5,7-diazatricyclo[6.3.1.04,12]dodec-6-en-6-amine?
10-ethyl-9-heptan-2-yl-5,7-diazatricyclo[6.3.1.04,12]dodec-6-en-6-amine has a molecular weight of 305.51 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-9-heptan-2-yl-5,7-diazatricyclo[6.3.1.04,12]dodec-6-en-6-amine is sourced from PubChem (CID 73237825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).