[1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclohexyl]methanamine

C19H26N2 — CID 117454052

IUPAC[1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclohexyl]methanamine
SMILESNCC1(c2ccc3[nH]c4c(c3c2)CCCC4)CCCCC1
InChIInChI=1S/C19H26N2/c20-13-19(10-4-1-5-11-19)14-8-9-18-16(12-14)15-6-2-3-7-17(15)21-18/h8-9,12,21H,1-7,10-11,13,20H2
InChIKeyZRKPEEGYXNFQEP-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.21
Rot. Bonds2

About [1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclohexyl]methanamine

[1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclohexyl]methanamine (PubChem CID 117454052) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is [1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclohexyl]methanamine
PubChem CID117454052
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name[1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclohexyl]methanamine
SMILESNCC1(c2ccc3[nH]c4c(c3c2)CCCC4)CCCCC1
InChIInChI=1S/C19H26N2/c20-13-19(10-4-1-5-11-19)14-8-9-18-16(12-14)15-6-2-3-7-17(15)21-18/h8-9,12,21H,1-7,10-11,13,20H2
InChIKeyZRKPEEGYXNFQEP-UHFFFAOYSA-N
XLogP4.21
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclohexyl]methanamine (CID 117454052) is [1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclohexyl]methanamine is NCC1(c2ccc3[nH]c4c(c3c2)CCCC4)CCCCC1.
What is the InChIKey of [1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclohexyl]methanamine?
The InChIKey is ZRKPEEGYXNFQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c20-13-19(10-4-1-5-11-19)14-8-9-18-16(12-14)15-6-2-3-7-17(15)21-18/h8-9,12,21H,1-7,10-11,13,20H2.
What are the key properties of [1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclohexyl]methanamine?
[1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclohexyl]methanamine has a molecular weight of 282.43 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclohexyl]methanamine is sourced from PubChem (CID 117454052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).