1-(5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-methylmethanamine

C16H22N2 — CID 84630576

IUPAC1-(5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-methylmethanamine
SMILESCNCC1CCCc2c1[nH]c1c(C)ccc(C)c21
InChIInChI=1S/C16H22N2/c1-10-7-8-11(2)15-14(10)13-6-4-5-12(9-17-3)16(13)18-15/h7-8,12,17-18H,4-6,9H2,1-3H3
InChIKeyLCRMDJIKIKBOAN-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.42
Rot. Bonds2

About 1-(5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-methylmethanamine

1-(5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-methylmethanamine (PubChem CID 84630576) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-(5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-methylmethanamine
PubChem CID84630576
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-(5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-methylmethanamine
SMILESCNCC1CCCc2c1[nH]c1c(C)ccc(C)c21
InChIInChI=1S/C16H22N2/c1-10-7-8-11(2)15-14(10)13-6-4-5-12(9-17-3)16(13)18-15/h7-8,12,17-18H,4-6,9H2,1-3H3
InChIKeyLCRMDJIKIKBOAN-UHFFFAOYSA-N
XLogP3.42
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-methylmethanamine (CID 84630576) is 1-(5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-methylmethanamine is CNCC1CCCc2c1[nH]c1c(C)ccc(C)c21.
What is the InChIKey of 1-(5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-methylmethanamine?
The InChIKey is LCRMDJIKIKBOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-10-7-8-11(2)15-14(10)13-6-4-5-12(9-17-3)16(13)18-15/h7-8,12,17-18H,4-6,9H2,1-3H3.
What are the key properties of 1-(5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-methylmethanamine?
1-(5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-methylmethanamine has a molecular weight of 242.37 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-methylmethanamine is sourced from PubChem (CID 84630576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).