N-methyl-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine

C17H24N2 — CID 176964378

IUPACN-methyl-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine
SMILESCNCCCn1c2c(c3cc(C)ccc31)CCCC2
InChIInChI=1S/C17H24N2/c1-13-8-9-17-15(12-13)14-6-3-4-7-16(14)19(17)11-5-10-18-2/h8-9,12,18H,3-7,10-11H2,1-2H3
InChIKeyOQVJCDIUPACRLD-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.44
Rot. Bonds4

About N-methyl-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine

N-methyl-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine (PubChem CID 176964378) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-methyl-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine
PubChem CID176964378
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-methyl-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine
SMILESCNCCCn1c2c(c3cc(C)ccc31)CCCC2
InChIInChI=1S/C17H24N2/c1-13-8-9-17-15(12-13)14-6-3-4-7-16(14)19(17)11-5-10-18-2/h8-9,12,18H,3-7,10-11H2,1-2H3
InChIKeyOQVJCDIUPACRLD-UHFFFAOYSA-N
XLogP3.44
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
CID 82499865
3-(3-iodo-6-methylcarbazol-9-yl)-N-methylpropan-1-amine
CID 70900489
3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine
CID 82497336
2,9-dimethyl-5-[2-(4-methylphenyl)ethyl]-6,7,8,10-tetrahydrocyclohepta[b]indol-9-amine
CID 70260265
3-(6-bromo-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine
CID 68882263
methyl 9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 23938891
9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83946769
9-[3-(dimethylsulfamoyl)propyl]-N-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 68954073
diethyl-[(2R)-2-hydroxy-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propyl]azanium
CID 6949865
4-(2-benzoyl-9-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-6-yl)butanoic acid
CID 143634258
3-(7-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
CID 82499867
9-(2-aminoethyl)-N-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydrocarbazol-3-amine;ethane
CID 171793515

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine (CID 176964378) is N-methyl-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine is CNCCCn1c2c(c3cc(C)ccc31)CCCC2.
What is the InChIKey of N-methyl-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine?
The InChIKey is OQVJCDIUPACRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-13-8-9-17-15(12-13)14-6-3-4-7-16(14)19(17)11-5-10-18-2/h8-9,12,18H,3-7,10-11H2,1-2H3.
What are the key properties of N-methyl-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine?
N-methyl-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-amine is sourced from PubChem (CID 176964378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).