(1S,17R)-14-(cyclopropylmethyl)-1,5,17-trimethyl-6,8,14-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10-pentaene

C21H27N3 — CID 59334295

IUPAC(1S,17R)-14-(cyclopropylmethyl)-1,5,17-trimethyl-6,8,14-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10-pentaene
SMILESCc1ncnc2cc3c(cc12)[C@@]1(C)CCN(CC2CC2)C(C3)[C@@H]1C
InChIInChI=1S/C21H27N3/c1-13-20-9-16-8-19-17(14(2)22-12-23-19)10-18(16)21(13,3)6-7-24(20)11-15-4-5-15/h8,10,12-13,15,20H,4-7,9,11H2,1-3H3/t13-,20?,21-/m0/s1
InChIKeyWWMZTRJECQTMBF-CMVRGNNWSA-N
MW321.47 g/mol
LogP3.87
Rot. Bonds2

About (1S,17R)-14-(cyclopropylmethyl)-1,5,17-trimethyl-6,8,14-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10-pentaene

(1S,17R)-14-(cyclopropylmethyl)-1,5,17-trimethyl-6,8,14-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10-pentaene (PubChem CID 59334295) has the molecular formula C21H27N3 and a molecular weight of 321.47 g/mol. Its IUPAC name is (1S,17R)-14-(cyclopropylmethyl)-1,5,17-trimethyl-6,8,14-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10-pentaene.

Molecular Properties

Compound Name(1S,17R)-14-(cyclopropylmethyl)-1,5,17-trimethyl-6,8,14-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10-pentaene
PubChem CID59334295
Molecular FormulaC21H27N3
Molecular Weight321.47 g/mol
Exact Mass321.22
IUPAC Name(1S,17R)-14-(cyclopropylmethyl)-1,5,17-trimethyl-6,8,14-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10-pentaene
SMILESCc1ncnc2cc3c(cc12)[C@@]1(C)CCN(CC2CC2)C(C3)[C@@H]1C
InChIInChI=1S/C21H27N3/c1-13-20-9-16-8-19-17(14(2)22-12-23-19)10-18(16)21(13,3)6-7-24(20)11-15-4-5-15/h8,10,12-13,15,20H,4-7,9,11H2,1-3H3/t13-,20?,21-/m0/s1
InChIKeyWWMZTRJECQTMBF-CMVRGNNWSA-N
XLogP3.87
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,17R)-14-(cyclopropylmethyl)-1,5,17-trimethyl-6,8,14-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10-pentaene with MolForge

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Related Compounds

(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-4,5-diamine
CID 59334291
10-(cyclopropylmethyl)-1,4,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 59419615
(1R,9R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine
CID 25087623
(1R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 23986637
(1S,9S,13S)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylic acid
CID 101103736
(1R,12R,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-6-propan-2-yl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene
CID 25164613
(1R,12R,16R)-13-(cyclobutylmethyl)-1,16-dimethyl-7-thia-5,13-diazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraen-6-amine
CID 11186913
(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-4-piperidin-1-yl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene;dihydrochloride
CID 45260329
(1S,13R)-10-(cyclopropylmethyl)-1,3,5,13-tetramethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 59334307
(1S,9S,13S)-10-(cyclopropylmethyl)-1,13-dimethyl-N-(2-phenylethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine
CID 101000893
N-[(1R,9R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]benzamide
CID 101334599
(1R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide;(1R,9R,13R)-1,13-dimethyl-10-[[(2S)-oxolan-2-yl]methyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide
CID 157412922

Frequently Asked Questions

What is the IUPAC name of (1S,17R)-14-(cyclopropylmethyl)-1,5,17-trimethyl-6,8,14-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10-pentaene?
The IUPAC name of (1S,17R)-14-(cyclopropylmethyl)-1,5,17-trimethyl-6,8,14-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10-pentaene (CID 59334295) is (1S,17R)-14-(cyclopropylmethyl)-1,5,17-trimethyl-6,8,14-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10-pentaene.
What is the SMILES notation for (1S,17R)-14-(cyclopropylmethyl)-1,5,17-trimethyl-6,8,14-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10-pentaene?
The canonical SMILES for (1S,17R)-14-(cyclopropylmethyl)-1,5,17-trimethyl-6,8,14-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10-pentaene is Cc1ncnc2cc3c(cc12)[C@@]1(C)CCN(CC2CC2)C(C3)[C@@H]1C.
What is the InChIKey of (1S,17R)-14-(cyclopropylmethyl)-1,5,17-trimethyl-6,8,14-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10-pentaene?
The InChIKey is WWMZTRJECQTMBF-CMVRGNNWSA-N. The full InChI is InChI=1S/C21H27N3/c1-13-20-9-16-8-19-17(14(2)22-12-23-19)10-18(16)21(13,3)6-7-24(20)11-15-4-5-15/h8,10,12-13,15,20H,4-7,9,11H2,1-3H3/t13-,20?,21-/m0/s1.
What are the key properties of (1S,17R)-14-(cyclopropylmethyl)-1,5,17-trimethyl-6,8,14-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10-pentaene?
(1S,17R)-14-(cyclopropylmethyl)-1,5,17-trimethyl-6,8,14-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10-pentaene has a molecular weight of 321.47 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,17R)-14-(cyclopropylmethyl)-1,5,17-trimethyl-6,8,14-triazatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10-pentaene is sourced from PubChem (CID 59334295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).