7-(aminomethyl)-N-cyclohexyl-12-methoxy-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-amine

C20H27N3OS — CID 91368430

IUPAC7-(aminomethyl)-N-cyclohexyl-12-methoxy-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-amine
SMILESCOc1ccc2c(c1)CCC(CN)c1sc(NC3CCCCC3)nc1-2
InChIInChI=1S/C20H27N3OS/c1-24-16-9-10-17-13(11-16)7-8-14(12-21)19-18(17)23-20(25-19)22-15-5-3-2-4-6-15/h9-11,14-15H,2-8,12,21H2,1H3,(H,22,23)
InChIKeyMHCBRQDMZOJSNS-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.55
Rot. Bonds4

About 7-(aminomethyl)-N-cyclohexyl-12-methoxy-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-amine

7-(aminomethyl)-N-cyclohexyl-12-methoxy-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-amine (PubChem CID 91368430) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 7-(aminomethyl)-N-cyclohexyl-12-methoxy-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-amine.

Molecular Properties

Compound Name7-(aminomethyl)-N-cyclohexyl-12-methoxy-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-amine
PubChem CID91368430
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name7-(aminomethyl)-N-cyclohexyl-12-methoxy-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-amine
SMILESCOc1ccc2c(c1)CCC(CN)c1sc(NC3CCCCC3)nc1-2
InChIInChI=1S/C20H27N3OS/c1-24-16-9-10-17-13(11-16)7-8-14(12-21)19-18(17)23-20(25-19)22-15-5-3-2-4-6-15/h9-11,14-15H,2-8,12,21H2,1H3,(H,22,23)
InChIKeyMHCBRQDMZOJSNS-UHFFFAOYSA-N
XLogP4.55
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(aminomethyl)-N-cyclohexyl-12-methoxy-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-amine with MolForge

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Related Compounds

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CID 8850714
N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908963
5-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-amine
CID 107647860
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CID 18172454
N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 115510402
cobalt(2+);7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
CID 71595556
N-cyclohexyl-4-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine
CID 155748502
N-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89225564
(2S)-2-[(dimethylamino)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 70254705
(6-methoxy-1,2,3,4-tetrahydroanthracen-1-yl)methanamine
CID 18466222

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-N-cyclohexyl-12-methoxy-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-amine?
The IUPAC name of 7-(aminomethyl)-N-cyclohexyl-12-methoxy-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-amine (CID 91368430) is 7-(aminomethyl)-N-cyclohexyl-12-methoxy-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-amine.
What is the SMILES notation for 7-(aminomethyl)-N-cyclohexyl-12-methoxy-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-amine?
The canonical SMILES for 7-(aminomethyl)-N-cyclohexyl-12-methoxy-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-amine is COc1ccc2c(c1)CCC(CN)c1sc(NC3CCCCC3)nc1-2.
What is the InChIKey of 7-(aminomethyl)-N-cyclohexyl-12-methoxy-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-amine?
The InChIKey is MHCBRQDMZOJSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-24-16-9-10-17-13(11-16)7-8-14(12-21)19-18(17)23-20(25-19)22-15-5-3-2-4-6-15/h9-11,14-15H,2-8,12,21H2,1H3,(H,22,23).
What are the key properties of 7-(aminomethyl)-N-cyclohexyl-12-methoxy-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-amine?
7-(aminomethyl)-N-cyclohexyl-12-methoxy-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-amine has a molecular weight of 357.52 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-N-cyclohexyl-12-methoxy-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-amine is sourced from PubChem (CID 91368430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).