(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)methanamine

C14H18N2 — CID 82048401

IUPAC(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)methanamine
SMILESCn1c2c(c3cc(CN)ccc31)CCCC2
InChIInChI=1S/C14H18N2/c1-16-13-5-3-2-4-11(13)12-8-10(9-15)6-7-14(12)16/h6-8H,2-5,9,15H2,1H3
InChIKeyINCZUYVJVNKZJH-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.52
Rot. Bonds1

About (9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)methanamine

(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)methanamine (PubChem CID 82048401) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)methanamine.

Molecular Properties

Compound Name(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)methanamine
PubChem CID82048401
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)methanamine
SMILESCn1c2c(c3cc(CN)ccc31)CCCC2
InChIInChI=1S/C14H18N2/c1-16-13-5-3-2-4-11(13)12-8-10(9-15)6-7-14(12)16/h6-8H,2-5,9,15H2,1H3
InChIKeyINCZUYVJVNKZJH-UHFFFAOYSA-N
XLogP2.52
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)methanamine?
The IUPAC name of (9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)methanamine (CID 82048401) is (9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)methanamine.
What is the SMILES notation for (9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)methanamine?
The canonical SMILES for (9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)methanamine is Cn1c2c(c3cc(CN)ccc31)CCCC2.
What is the InChIKey of (9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)methanamine?
The InChIKey is INCZUYVJVNKZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-16-13-5-3-2-4-11(13)12-8-10(9-15)6-7-14(12)16/h6-8H,2-5,9,15H2,1H3.
What are the key properties of (9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)methanamine?
(9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)methanamine has a molecular weight of 214.31 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-5,6,7,8-tetrahydrocarbazol-3-yl)methanamine is sourced from PubChem (CID 82048401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).