1-(7a,11,12,12-tetramethyl-6,7,10,11,12a,12c-hexahydro-4aH-indeno[1,2-c]carbazol-5-yl)-N-methylmethanamine

C25H34N2 — CID 71235167

IUPAC1-(7a,11,12,12-tetramethyl-6,7,10,11,12a,12c-hexahydro-4aH-indeno[1,2-c]carbazol-5-yl)-N-methylmethanamine
SMILESCNCN1C2=C(C3C=CC=CC31)C1C(C)(C)C3=C(C=CCC3C)C1(C)CC2
InChIInChI=1S/C25H34N2/c1-16-9-8-11-18-22(16)24(2,3)23-21-17-10-6-7-12-19(17)27(15-26-5)20(21)13-14-25(18,23)4/h6-8,10-12,16-17,19,23,26H,9,13-15H2,1-5H3
InChIKeySBBXTHJUNTVKKY-UHFFFAOYSA-N
MW362.56 g/mol
LogP5.19
Rot. Bonds2

About 1-(7a,11,12,12-tetramethyl-6,7,10,11,12a,12c-hexahydro-4aH-indeno[1,2-c]carbazol-5-yl)-N-methylmethanamine

1-(7a,11,12,12-tetramethyl-6,7,10,11,12a,12c-hexahydro-4aH-indeno[1,2-c]carbazol-5-yl)-N-methylmethanamine (PubChem CID 71235167) has the molecular formula C25H34N2 and a molecular weight of 362.56 g/mol. Its IUPAC name is 1-(7a,11,12,12-tetramethyl-6,7,10,11,12a,12c-hexahydro-4aH-indeno[1,2-c]carbazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7a,11,12,12-tetramethyl-6,7,10,11,12a,12c-hexahydro-4aH-indeno[1,2-c]carbazol-5-yl)-N-methylmethanamine
PubChem CID71235167
Molecular FormulaC25H34N2
Molecular Weight362.56 g/mol
Exact Mass362.27
IUPAC Name1-(7a,11,12,12-tetramethyl-6,7,10,11,12a,12c-hexahydro-4aH-indeno[1,2-c]carbazol-5-yl)-N-methylmethanamine
SMILESCNCN1C2=C(C3C=CC=CC31)C1C(C)(C)C3=C(C=CCC3C)C1(C)CC2
InChIInChI=1S/C25H34N2/c1-16-9-8-11-18-22(16)24(2,3)23-21-17-10-6-7-12-19(17)27(15-26-5)20(21)13-14-25(18,23)4/h6-8,10-12,16-17,19,23,26H,9,13-15H2,1-5H3
InChIKeySBBXTHJUNTVKKY-UHFFFAOYSA-N
XLogP5.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7a,11,12,12-tetramethyl-6,7,10,11,12a,12c-hexahydro-4aH-indeno[1,2-c]carbazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(7a,11,12,12-tetramethyl-6,7,10,11,12a,12c-hexahydro-4aH-indeno[1,2-c]carbazol-5-yl)-N-methylmethanamine (CID 71235167) is 1-(7a,11,12,12-tetramethyl-6,7,10,11,12a,12c-hexahydro-4aH-indeno[1,2-c]carbazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(7a,11,12,12-tetramethyl-6,7,10,11,12a,12c-hexahydro-4aH-indeno[1,2-c]carbazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(7a,11,12,12-tetramethyl-6,7,10,11,12a,12c-hexahydro-4aH-indeno[1,2-c]carbazol-5-yl)-N-methylmethanamine is CNCN1C2=C(C3C=CC=CC31)C1C(C)(C)C3=C(C=CCC3C)C1(C)CC2.
What is the InChIKey of 1-(7a,11,12,12-tetramethyl-6,7,10,11,12a,12c-hexahydro-4aH-indeno[1,2-c]carbazol-5-yl)-N-methylmethanamine?
The InChIKey is SBBXTHJUNTVKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2/c1-16-9-8-11-18-22(16)24(2,3)23-21-17-10-6-7-12-19(17)27(15-26-5)20(21)13-14-25(18,23)4/h6-8,10-12,16-17,19,23,26H,9,13-15H2,1-5H3.
What are the key properties of 1-(7a,11,12,12-tetramethyl-6,7,10,11,12a,12c-hexahydro-4aH-indeno[1,2-c]carbazol-5-yl)-N-methylmethanamine?
1-(7a,11,12,12-tetramethyl-6,7,10,11,12a,12c-hexahydro-4aH-indeno[1,2-c]carbazol-5-yl)-N-methylmethanamine has a molecular weight of 362.56 g/mol, XLogP of 5.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7a,11,12,12-tetramethyl-6,7,10,11,12a,12c-hexahydro-4aH-indeno[1,2-c]carbazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 71235167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).