3,6,15,15,18-pentamethylhexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-3-amine

C29H27N — CID 139438660

IUPAC3,6,15,15,18-pentamethylhexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-3-amine
SMILESCc1ccc2c(c1)C(C)(C)c1c-2ccc2c3c(ccc12)-c1ccc(C)cc1C3(C)N
InChIInChI=1S/C29H27N/c1-16-6-8-18-20-10-13-23-22(26(20)28(3,4)24(18)14-16)12-11-21-19-9-7-17(2)15-25(19)29(5,30)27(21)23/h6-15H,30H2,1-5H3
InChIKeyNFUGCDBNLYTCDN-UHFFFAOYSA-N
MW389.54 g/mol
LogP6.97
Rot. Bonds

About 3,6,15,15,18-pentamethylhexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-3-amine

3,6,15,15,18-pentamethylhexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-3-amine (PubChem CID 139438660) has the molecular formula C29H27N and a molecular weight of 389.54 g/mol. Its IUPAC name is 3,6,15,15,18-pentamethylhexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-3-amine.

Molecular Properties

Compound Name3,6,15,15,18-pentamethylhexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-3-amine
PubChem CID139438660
Molecular FormulaC29H27N
Molecular Weight389.54 g/mol
Exact Mass389.21
IUPAC Name3,6,15,15,18-pentamethylhexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-3-amine
SMILESCc1ccc2c(c1)C(C)(C)c1c-2ccc2c3c(ccc12)-c1ccc(C)cc1C3(C)N
InChIInChI=1S/C29H27N/c1-16-6-8-18-20-10-13-23-22(26(20)28(3,4)24(18)14-16)12-11-21-19-9-7-17(2)15-25(19)29(5,30)27(21)23/h6-15H,30H2,1-5H3
InChIKeyNFUGCDBNLYTCDN-UHFFFAOYSA-N
XLogP6.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,6,15,15,18-pentamethylhexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-3-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,6,15,15,18-pentamethylhexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-3-amine?
The IUPAC name of 3,6,15,15,18-pentamethylhexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-3-amine (CID 139438660) is 3,6,15,15,18-pentamethylhexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-3-amine.
What is the SMILES notation for 3,6,15,15,18-pentamethylhexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-3-amine?
The canonical SMILES for 3,6,15,15,18-pentamethylhexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-3-amine is Cc1ccc2c(c1)C(C)(C)c1c-2ccc2c3c(ccc12)-c1ccc(C)cc1C3(C)N.
What is the InChIKey of 3,6,15,15,18-pentamethylhexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-3-amine?
The InChIKey is NFUGCDBNLYTCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N/c1-16-6-8-18-20-10-13-23-22(26(20)28(3,4)24(18)14-16)12-11-21-19-9-7-17(2)15-25(19)29(5,30)27(21)23/h6-15H,30H2,1-5H3.
What are the key properties of 3,6,15,15,18-pentamethylhexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-3-amine?
3,6,15,15,18-pentamethylhexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-3-amine has a molecular weight of 389.54 g/mol, XLogP of 6.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,15,15,18-pentamethylhexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-3-amine is sourced from PubChem (CID 139438660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).