10-butan-2-yl-14,24,24-trimethyl-14-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,15,17(25),19,21-undecaene

C32H33N — CID 144559282

IUPAC10-butan-2-yl-14,24,24-trimethyl-14-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,15,17(25),19,21-undecaene
SMILESCCC(C)c1ccc2c(c1)-c1ccccc1-c1cc3c(cc1N2C)C1C=CC=CC1C3(C)C
InChIInChI=1S/C32H33N/c1-6-20(2)21-15-16-30-26(17-21)22-11-7-8-12-23(22)27-18-29-25(19-31(27)33(30)5)24-13-9-10-14-28(24)32(29,3)4/h7-20,24,28H,6H2,1-5H3
InChIKeyKYFYOSBYQXTEPK-UHFFFAOYSA-N
MW431.62 g/mol
LogP8.73
Rot. Bonds2

About 10-butan-2-yl-14,24,24-trimethyl-14-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,15,17(25),19,21-undecaene

10-butan-2-yl-14,24,24-trimethyl-14-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,15,17(25),19,21-undecaene (PubChem CID 144559282) has the molecular formula C32H33N and a molecular weight of 431.62 g/mol. Its IUPAC name is 10-butan-2-yl-14,24,24-trimethyl-14-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,15,17(25),19,21-undecaene.

Molecular Properties

Compound Name10-butan-2-yl-14,24,24-trimethyl-14-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,15,17(25),19,21-undecaene
PubChem CID144559282
Molecular FormulaC32H33N
Molecular Weight431.62 g/mol
Exact Mass431.26
IUPAC Name10-butan-2-yl-14,24,24-trimethyl-14-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,15,17(25),19,21-undecaene
SMILESCCC(C)c1ccc2c(c1)-c1ccccc1-c1cc3c(cc1N2C)C1C=CC=CC1C3(C)C
InChIInChI=1S/C32H33N/c1-6-20(2)21-15-16-30-26(17-21)22-11-7-8-12-23(22)27-18-29-25(19-31(27)33(30)5)24-13-9-10-14-28(24)32(29,3)4/h7-20,24,28H,6H2,1-5H3
InChIKeyKYFYOSBYQXTEPK-UHFFFAOYSA-N
XLogP8.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.62
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 10-butan-2-yl-14,24,24-trimethyl-14-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,15,17(25),19,21-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-butan-2-yl-14,24,24-trimethyl-14-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,15,17(25),19,21-undecaene?
The IUPAC name of 10-butan-2-yl-14,24,24-trimethyl-14-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,15,17(25),19,21-undecaene (CID 144559282) is 10-butan-2-yl-14,24,24-trimethyl-14-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,15,17(25),19,21-undecaene.
What is the SMILES notation for 10-butan-2-yl-14,24,24-trimethyl-14-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,15,17(25),19,21-undecaene?
The canonical SMILES for 10-butan-2-yl-14,24,24-trimethyl-14-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,15,17(25),19,21-undecaene is CCC(C)c1ccc2c(c1)-c1ccccc1-c1cc3c(cc1N2C)C1C=CC=CC1C3(C)C.
What is the InChIKey of 10-butan-2-yl-14,24,24-trimethyl-14-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,15,17(25),19,21-undecaene?
The InChIKey is KYFYOSBYQXTEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N/c1-6-20(2)21-15-16-30-26(17-21)22-11-7-8-12-23(22)27-18-29-25(19-31(27)33(30)5)24-13-9-10-14-28(24)32(29,3)4/h7-20,24,28H,6H2,1-5H3.
What are the key properties of 10-butan-2-yl-14,24,24-trimethyl-14-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,15,17(25),19,21-undecaene?
10-butan-2-yl-14,24,24-trimethyl-14-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,15,17(25),19,21-undecaene has a molecular weight of 431.62 g/mol, XLogP of 8.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butan-2-yl-14,24,24-trimethyl-14-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(26),2,4,6,8(13),9,11,15,17(25),19,21-undecaene is sourced from PubChem (CID 144559282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).