(7R)-4-methyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-7-amine

C13H14N2O — CID 124706953

IUPAC(7R)-4-methyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-7-amine
SMILESCc1nc2c(o1)-c1ccccc1CC[C@H]2N
InChIInChI=1S/C13H14N2O/c1-8-15-12-11(14)7-6-9-4-2-3-5-10(9)13(12)16-8/h2-5,11H,6-7,14H2,1H3/t11-/m1/s1
InChIKeyVAJZJJKOIGPIPK-LLVKDONJSA-N
MW214.27 g/mol
LogP2.60
Rot. Bonds

About (7R)-4-methyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-7-amine

(7R)-4-methyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-7-amine (PubChem CID 124706953) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (7R)-4-methyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-7-amine.

Molecular Properties

Compound Name(7R)-4-methyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-7-amine
PubChem CID124706953
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(7R)-4-methyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-7-amine
SMILESCc1nc2c(o1)-c1ccccc1CC[C@H]2N
InChIInChI=1S/C13H14N2O/c1-8-15-12-11(14)7-6-9-4-2-3-5-10(9)13(12)16-8/h2-5,11H,6-7,14H2,1H3/t11-/m1/s1
InChIKeyVAJZJJKOIGPIPK-LLVKDONJSA-N
XLogP2.60
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7R)-4-methyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-7-amine with MolForge

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Related Compounds

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CID 174570832
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CID 98051177
2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 155890963
(1S)-2,3-dihydro-1H-inden-1-amine
CID 7000084
(2S)-5-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ol
CID 697616
5-methyl-2-(4-methylpiperazin-1-yl)-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene
CID 567536
(2S)-5-methyl-2-(4-methylpiperazin-1-yl)-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene
CID 736003
9,10-dihydrophenanthrene;ethane
CID 143759681
7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 24975348
(2S)-2-[(4-methoxyanilino)methyl]-3,4-dihydro-2H-naphthalen-1-one
CID 40603057
4,5-dihydrobenzo[e][1,3]benzoxazol-2-amine
CID 170794640
(7S)-7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
CID 71453803

Frequently Asked Questions

What is the IUPAC name of (7R)-4-methyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-7-amine?
The IUPAC name of (7R)-4-methyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-7-amine (CID 124706953) is (7R)-4-methyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-7-amine.
What is the SMILES notation for (7R)-4-methyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-7-amine?
The canonical SMILES for (7R)-4-methyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-7-amine is Cc1nc2c(o1)-c1ccccc1CC[C@H]2N.
What is the InChIKey of (7R)-4-methyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-7-amine?
The InChIKey is VAJZJJKOIGPIPK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14N2O/c1-8-15-12-11(14)7-6-9-4-2-3-5-10(9)13(12)16-8/h2-5,11H,6-7,14H2,1H3/t11-/m1/s1.
What are the key properties of (7R)-4-methyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-7-amine?
(7R)-4-methyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-7-amine has a molecular weight of 214.27 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-4-methyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-7-amine is sourced from PubChem (CID 124706953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).