[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine

C14H18N2 — CID 6575411

IUPAC[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine
SMILESCc1ccc2[nH]c3c(c2c1)CCC[C@H]3CN
InChIInChI=1S/C14H18N2/c1-9-5-6-13-12(7-9)11-4-2-3-10(8-15)14(11)16-13/h5-7,10,16H,2-4,8,15H2,1H3/t10-/m0/s1
InChIKeyUWFGYGQNWCLZDJ-JTQLQIEISA-N
MW214.31 g/mol
LogP2.85
Rot. Bonds1

About [(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine

[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine (PubChem CID 6575411) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is [(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine.

Molecular Properties

Compound Name[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine
PubChem CID6575411
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine
SMILESCc1ccc2[nH]c3c(c2c1)CCC[C@H]3CN
InChIInChI=1S/C14H18N2/c1-9-5-6-13-12(7-9)11-4-2-3-10(8-15)14(11)16-13/h5-7,10,16H,2-4,8,15H2,1H3/t10-/m0/s1
InChIKeyUWFGYGQNWCLZDJ-JTQLQIEISA-N
XLogP2.85
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine?
The IUPAC name of [(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine (CID 6575411) is [(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine.
What is the SMILES notation for [(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine?
The canonical SMILES for [(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine is Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3CN.
What is the InChIKey of [(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine?
The InChIKey is UWFGYGQNWCLZDJ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N2/c1-9-5-6-13-12(7-9)11-4-2-3-10(8-15)14(11)16-13/h5-7,10,16H,2-4,8,15H2,1H3/t10-/m0/s1.
What are the key properties of [(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine?
[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine has a molecular weight of 214.31 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine is sourced from PubChem (CID 6575411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).