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

C18H23N3 — CID 117451856

IUPAC1-[1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2ccc3[nH]c4c(c3c2)C2CCN4CC2)CC1
InChIInChI=1S/C18H23N3/c1-11(19)18(6-7-18)13-2-3-15-14(10-13)16-12-4-8-21(9-5-12)17(16)20-15/h2-3,10-12,20H,4-9,19H2,1H3
InChIKeyUQISOPHFNWRQRY-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.24
Rot. Bonds2

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

1-[1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]ethanamine (PubChem CID 117451856) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]ethanamine
PubChem CID117451856
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-[1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2ccc3[nH]c4c(c3c2)C2CCN4CC2)CC1
InChIInChI=1S/C18H23N3/c1-11(19)18(6-7-18)13-2-3-15-14(10-13)16-12-4-8-21(9-5-12)17(16)20-15/h2-3,10-12,20H,4-9,19H2,1H3
InChIKeyUQISOPHFNWRQRY-UHFFFAOYSA-N
XLogP3.24
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]ethanamine?
The IUPAC name of 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) is 1-[1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]ethanamine is CC(N)C1(c2ccc3[nH]c4c(c3c2)C2CCN4CC2)CC1.
What is the InChIKey of 1-[1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]ethanamine?
The InChIKey is UQISOPHFNWRQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-11(19)18(6-7-18)13-2-3-15-14(10-13)16-12-4-8-21(9-5-12)17(16)20-15/h2-3,10-12,20H,4-9,19H2,1H3.
What are the key properties of 1-[1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]ethanamine?
1-[1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]ethanamine is sourced from PubChem (CID 117451856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).