10,16-diethyl-15-methyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene

C19H28N2 — CID 57034308

IUPAC10,16-diethyl-15-methyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene
SMILESCCC1C2N=C3CC4=C(CC3C2C)CC1(CC)NCC=C4
InChIInChI=1S/C19H28N2/c1-4-16-18-12(3)15-9-14-11-19(16,5-2)20-8-6-7-13(14)10-17(15)21-18/h6-7,12,15-16,18,20H,4-5,8-11H2,1-3H3
InChIKeyPNNOUCCDHDVJAD-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.89
Rot. Bonds2

About 10,16-diethyl-15-methyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene

10,16-diethyl-15-methyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene (PubChem CID 57034308) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 10,16-diethyl-15-methyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene.

Molecular Properties

Compound Name10,16-diethyl-15-methyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene
PubChem CID57034308
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name10,16-diethyl-15-methyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene
SMILESCCC1C2N=C3CC4=C(CC3C2C)CC1(CC)NCC=C4
InChIInChI=1S/C19H28N2/c1-4-16-18-12(3)15-9-14-11-19(16,5-2)20-8-6-7-13(14)10-17(15)21-18/h6-7,12,15-16,18,20H,4-5,8-11H2,1-3H3
InChIKeyPNNOUCCDHDVJAD-UHFFFAOYSA-N
XLogP3.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6Z)-10,16-dimethyl-15-(3-methylbut-2-enyl)-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene
CID 19879739
(6Z)-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene
CID 19879742
(6Z)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene
CID 19879747
10,15,16-Trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene
CID 57065860
8-Ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene
CID 57117877
15-(Cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene
CID 57157439
10,15,16-Trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene
CID 57224346
15-(Cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene
CID 57257918
9,10,15,16-Tetramethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene
CID 57278890
10,16-Dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene
CID 57293262
10,16-Dimethyl-15-(3-methylbut-2-enyl)-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene
CID 57312867
10,15,16-Trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),6-triene
CID 67897073

Frequently Asked Questions

What is the IUPAC name of 10,16-diethyl-15-methyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene?
The IUPAC name of 10,16-diethyl-15-methyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene (CID 57034308) is 10,16-diethyl-15-methyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene.
What is the SMILES notation for 10,16-diethyl-15-methyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene?
The canonical SMILES for 10,16-diethyl-15-methyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene is CCC1C2N=C3CC4=C(CC3C2C)CC1(CC)NCC=C4.
What is the InChIKey of 10,16-diethyl-15-methyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene?
The InChIKey is PNNOUCCDHDVJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-4-16-18-12(3)15-9-14-11-19(16,5-2)20-8-6-7-13(14)10-17(15)21-18/h6-7,12,15-16,18,20H,4-5,8-11H2,1-3H3.
What are the key properties of 10,16-diethyl-15-methyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene?
10,16-diethyl-15-methyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene has a molecular weight of 284.45 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,16-diethyl-15-methyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene is sourced from PubChem (CID 57034308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).