9-(4-propan-2-ylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole

C21H37N — CID 164705941

IUPAC9-(4-propan-2-ylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
SMILESCC(C)C1CCC(N2C3CCCCC3C3CCCCC32)CC1
InChIInChI=1S/C21H37N/c1-15(2)16-11-13-17(14-12-16)22-20-9-5-3-7-18(20)19-8-4-6-10-21(19)22/h15-21H,3-14H2,1-2H3
InChIKeyJFHPRUSJJHPOLA-UHFFFAOYSA-N
MW303.53 g/mol
LogP5.63
Rot. Bonds2

About 9-(4-propan-2-ylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole

9-(4-propan-2-ylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole (PubChem CID 164705941) has the molecular formula C21H37N and a molecular weight of 303.53 g/mol. Its IUPAC name is 9-(4-propan-2-ylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole.

Molecular Properties

Compound Name9-(4-propan-2-ylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
PubChem CID164705941
Molecular FormulaC21H37N
Molecular Weight303.53 g/mol
Exact Mass303.29
IUPAC Name9-(4-propan-2-ylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
SMILESCC(C)C1CCC(N2C3CCCCC3C3CCCCC32)CC1
InChIInChI=1S/C21H37N/c1-15(2)16-11-13-17(14-12-16)22-20-9-5-3-7-18(20)19-8-4-6-10-21(19)22/h15-21H,3-14H2,1-2H3
InChIKeyJFHPRUSJJHPOLA-UHFFFAOYSA-N
XLogP5.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.53
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-(4-propan-2-ylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole?
The IUPAC name of 9-(4-propan-2-ylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole (CID 164705941) is 9-(4-propan-2-ylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole.
What is the SMILES notation for 9-(4-propan-2-ylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole?
The canonical SMILES for 9-(4-propan-2-ylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole is CC(C)C1CCC(N2C3CCCCC3C3CCCCC32)CC1.
What is the InChIKey of 9-(4-propan-2-ylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole?
The InChIKey is JFHPRUSJJHPOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N/c1-15(2)16-11-13-17(14-12-16)22-20-9-5-3-7-18(20)19-8-4-6-10-21(19)22/h15-21H,3-14H2,1-2H3.
What are the key properties of 9-(4-propan-2-ylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole?
9-(4-propan-2-ylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole has a molecular weight of 303.53 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-propan-2-ylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole is sourced from PubChem (CID 164705941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).