(6S,7S)-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-amine

C18H20N2 — CID 68677042

IUPAC(6S,7S)-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-amine
SMILESN[C@H]1CCCN2c3ccccc3Cc3ccccc3[C@@H]12
InChIInChI=1S/C18H20N2/c19-16-9-5-11-20-17-10-4-2-7-14(17)12-13-6-1-3-8-15(13)18(16)20/h1-4,6-8,10,16,18H,5,9,11-12,19H2/t16-,18-/m0/s1
InChIKeyAHLBTLGILAZSHO-WMZOPIPTSA-N
MW264.37 g/mol
LogP3.26
Rot. Bonds

About (6S,7S)-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-amine

(6S,7S)-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-amine (PubChem CID 68677042) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (6S,7S)-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-amine.

Molecular Properties

Compound Name(6S,7S)-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-amine
PubChem CID68677042
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name(6S,7S)-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-amine
SMILESN[C@H]1CCCN2c3ccccc3Cc3ccccc3[C@@H]12
InChIInChI=1S/C18H20N2/c19-16-9-5-11-20-17-10-4-2-7-14(17)12-13-6-1-3-8-15(13)18(16)20/h1-4,6-8,10,16,18H,5,9,11-12,19H2/t16-,18-/m0/s1
InChIKeyAHLBTLGILAZSHO-WMZOPIPTSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-yl)ethanamine
CID 70636866
2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
CID 15506421
N-[(6S,7S)-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-yl]-2,2,2-trifluoroacetamide
CID 87537105
2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-amine
CID 70637797
(6S,7R)-18-fluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-amine
CID 10192989
2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-amine
CID 21420493
(6R)-6-ethyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene-5-carboxylic acid
CID 67835774
10-thia-2-azatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),7(11),8,13,15-pentaene
CID 15506422
2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole
CID 11744913
N-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-amine
CID 70636802
(6R,7S)-18-bromo-12,17-difluoro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8(13),9,11,15,17-hexaen-6-amine
CID 67358065
2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-amine
CID 82411355

Frequently Asked Questions

What is the IUPAC name of (6S,7S)-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-amine?
The IUPAC name of (6S,7S)-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-amine (CID 68677042) is (6S,7S)-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-amine.
What is the SMILES notation for (6S,7S)-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-amine?
The canonical SMILES for (6S,7S)-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-amine is N[C@H]1CCCN2c3ccccc3Cc3ccccc3[C@@H]12.
What is the InChIKey of (6S,7S)-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-amine?
The InChIKey is AHLBTLGILAZSHO-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H20N2/c19-16-9-5-11-20-17-10-4-2-7-14(17)12-13-6-1-3-8-15(13)18(16)20/h1-4,6-8,10,16,18H,5,9,11-12,19H2/t16-,18-/m0/s1.
What are the key properties of (6S,7S)-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-amine?
(6S,7S)-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-amine has a molecular weight of 264.37 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S)-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-amine is sourced from PubChem (CID 68677042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).