1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)ethanamine

C15H19N3 — CID 117355747

IUPAC1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)ethanamine
SMILESCC(N)c1ccc2[nH]c3c(c2c1)C1CCN3CC1
InChIInChI=1S/C15H19N3/c1-9(16)11-2-3-13-12(8-11)14-10-4-6-18(7-5-10)15(14)17-13/h2-3,8-10,17H,4-7,16H2,1H3
InChIKeyCRBHWXFIKVOMAX-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.88
Rot. Bonds1

About 1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)ethanamine

1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)ethanamine (PubChem CID 117355747) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)ethanamine.

Molecular Properties

Compound Name1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)ethanamine
PubChem CID117355747
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)ethanamine
SMILESCC(N)c1ccc2[nH]c3c(c2c1)C1CCN3CC1
InChIInChI=1S/C15H19N3/c1-9(16)11-2-3-13-12(8-11)14-10-4-6-18(7-5-10)15(14)17-13/h2-3,8-10,17H,4-7,16H2,1H3
InChIKeyCRBHWXFIKVOMAX-UHFFFAOYSA-N
XLogP2.88
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)ethanamine 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

3-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)butan-1-amine
CID 117426993
1-[1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]ethanamine
CID 117451856
9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-amine
CID 83986251
3-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)propanal
CID 117389342
(1R)-1-[3-fluoro-4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine
CID 63368910
1-(4-cyclopropylphenyl)ethanamine
CID 55211304
(1S)-1-[3-bromo-4-(4-methylpiperidin-1-yl)phenyl]ethanamine
CID 78935793
(1S,12R,20R)-5-propan-2-yl-9,17-diazapentacyclo[10.7.1.02,10.03,8.017,20]icosa-2(10),3(8),4,6-tetraene
CID 102035344
[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol
CID 78936152
(1R)-1-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-fluorophenyl]ethanamine
CID 113335787
(1R)-1-[4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine
CID 78935368
4-amino-6-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
CID 84641761

Frequently Asked Questions

What is the IUPAC name of 1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)ethanamine?
The IUPAC name of 1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)ethanamine (CID 117355747) is 1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)ethanamine.
What is the SMILES notation for 1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)ethanamine?
The canonical SMILES for 1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)ethanamine is CC(N)c1ccc2[nH]c3c(c2c1)C1CCN3CC1.
What is the InChIKey of 1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)ethanamine?
The InChIKey is CRBHWXFIKVOMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-9(16)11-2-3-13-12(8-11)14-10-4-6-18(7-5-10)15(14)17-13/h2-3,8-10,17H,4-7,16H2,1H3.
What are the key properties of 1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)ethanamine?
1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)ethanamine has a molecular weight of 241.34 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)ethanamine is sourced from PubChem (CID 117355747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).