ethane;10-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,8(19),9,11,13,17-heptaene

C27H41N — CID 145243225

IUPACethane;10-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,8(19),9,11,13,17-heptaene
SMILESCC.CC.CC.CC.Cc1cc2c3c(n4c5c(c(c1)c24)=CCCC=5)C=CCC3
InChIInChI=1S/C19H17N.4C2H6/c1-12-10-15-13-6-2-4-8-17(13)20-18-9-5-3-7-14(18)16(11-12)19(15)20;4*1-2/h4,7-11H,2-3,5-6H2,1H3;4*1-2H3
InChIKeyGZKIUNLPYGEPSA-UHFFFAOYSA-N
MW379.63 g/mol
LogP7.26
Rot. Bonds

About ethane;10-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,8(19),9,11,13,17-heptaene

ethane;10-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,8(19),9,11,13,17-heptaene (PubChem CID 145243225) has the molecular formula C27H41N and a molecular weight of 379.63 g/mol. Its IUPAC name is ethane;10-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,8(19),9,11,13,17-heptaene.

Molecular Properties

Compound Nameethane;10-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,8(19),9,11,13,17-heptaene
PubChem CID145243225
Molecular FormulaC27H41N
Molecular Weight379.63 g/mol
Exact Mass379.32
IUPAC Nameethane;10-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,8(19),9,11,13,17-heptaene
SMILESCC.CC.CC.CC.Cc1cc2c3c(n4c5c(c(c1)c24)=CCCC=5)C=CCC3
InChIInChI=1S/C19H17N.4C2H6/c1-12-10-15-13-6-2-4-8-17(13)20-18-9-5-3-7-14(18)16(11-12)19(15)20;4*1-2/h4,7-11H,2-3,5-6H2,1H3;4*1-2H3
InChIKeyGZKIUNLPYGEPSA-UHFFFAOYSA-N
XLogP7.26
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.63
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;10-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,8(19),9,11,13,17-heptaene with MolForge

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Related Compounds

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6-methyl-1,2-dihydrotriphenylene
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6-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)-3,4-dihydrocarbazole
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5,11-bis(4-methylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
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3-azaoctacyclo[15.10.1.13,10.02,15.04,9.018,23.024,28.014,29]nonacosa-1(27),2(15),4,8,10,12,14(29),16,18,20,22,24(28),25-tridecaene
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CID 166956508
9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole
CID 71097259
6-N,6-N,11-N,11-N-tetraphenyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3(8),4,6,9(26),10,12,15(20),16,21(25),22-undecaene-6,11-diamine
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Frequently Asked Questions

What is the IUPAC name of ethane;10-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,8(19),9,11,13,17-heptaene?
The IUPAC name of ethane;10-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,8(19),9,11,13,17-heptaene (CID 145243225) is ethane;10-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,8(19),9,11,13,17-heptaene.
What is the SMILES notation for ethane;10-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,8(19),9,11,13,17-heptaene?
The canonical SMILES for ethane;10-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,8(19),9,11,13,17-heptaene is CC.CC.CC.CC.Cc1cc2c3c(n4c5c(c(c1)c24)=CCCC=5)C=CCC3.
What is the InChIKey of ethane;10-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,8(19),9,11,13,17-heptaene?
The InChIKey is GZKIUNLPYGEPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N.4C2H6/c1-12-10-15-13-6-2-4-8-17(13)20-18-9-5-3-7-14(18)16(11-12)19(15)20;4*1-2/h4,7-11H,2-3,5-6H2,1H3;4*1-2H3.
What are the key properties of ethane;10-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,8(19),9,11,13,17-heptaene?
ethane;10-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,8(19),9,11,13,17-heptaene has a molecular weight of 379.63 g/mol, XLogP of 7.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;10-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,8(19),9,11,13,17-heptaene is sourced from PubChem (CID 145243225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).