dimethyl-[3-[[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azaniumyl]propyl]azanium

C18H29N3+2 — CID 2004357

IUPACdimethyl-[3-[[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azaniumyl]propyl]azanium
SMILESCc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCC[NH+](C)C
InChIInChI=1S/C18H27N3/c1-13-8-9-16-15(12-13)14-6-4-7-17(18(14)20-16)19-10-5-11-21(2)3/h8-9,12,17,19-20H,4-7,10-11H2,1-3H3/p+2/t17-/m0/s1
InChIKeyABYBKVTTZUTOKN-KRWDZBQOSA-P
MW287.45 g/mol
LogP0.95
Rot. Bonds5

About dimethyl-[3-[[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azaniumyl]propyl]azanium

dimethyl-[3-[[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azaniumyl]propyl]azanium (PubChem CID 2004357) has the molecular formula C18H29N3+2 and a molecular weight of 287.45 g/mol. Its IUPAC name is dimethyl-[3-[[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azaniumyl]propyl]azanium.

Molecular Properties

Compound Namedimethyl-[3-[[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azaniumyl]propyl]azanium
PubChem CID2004357
Molecular FormulaC18H29N3+2
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Namedimethyl-[3-[[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azaniumyl]propyl]azanium
SMILESCc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCC[NH+](C)C
InChIInChI=1S/C18H27N3/c1-13-8-9-16-15(12-13)14-6-4-7-17(18(14)20-16)19-10-5-11-21(2)3/h8-9,12,17,19-20H,4-7,10-11H2,1-3H3/p+2/t17-/m0/s1
InChIKeyABYBKVTTZUTOKN-KRWDZBQOSA-P
XLogP0.95
TPSA36.84 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

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

(4-fluorophenyl)methyl-[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium
CID 6943815
(4-chlorophenyl)methyl-[(1R)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium
CID 7047389
cyclohexyl-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)azanium
CID 4105832
[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine
CID 6575411
2-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-6-ol
CID 2874344
2-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol;hydrochloride
CID 14197121
(1S)-N-cyclohexyl-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 753921
7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-ol
CID 2849427
7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 4770206
1-cyclobutyl-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 141010505
1-[3-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methyl]phenyl]ethanone
CID 171357712
[(1S)-6-cyclohexyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-[2-(4-nitrophenyl)ethyl]azanium
CID 2180633

Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-[[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azaniumyl]propyl]azanium?
The IUPAC name of dimethyl-[3-[[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azaniumyl]propyl]azanium (CID 2004357) is dimethyl-[3-[[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azaniumyl]propyl]azanium.
What is the SMILES notation for dimethyl-[3-[[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azaniumyl]propyl]azanium?
The canonical SMILES for dimethyl-[3-[[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azaniumyl]propyl]azanium is Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCC[NH+](C)C.
What is the InChIKey of dimethyl-[3-[[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azaniumyl]propyl]azanium?
The InChIKey is ABYBKVTTZUTOKN-KRWDZBQOSA-P. The full InChI is InChI=1S/C18H27N3/c1-13-8-9-16-15(12-13)14-6-4-7-17(18(14)20-16)19-10-5-11-21(2)3/h8-9,12,17,19-20H,4-7,10-11H2,1-3H3/p+2/t17-/m0/s1.
What are the key properties of dimethyl-[3-[[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azaniumyl]propyl]azanium?
dimethyl-[3-[[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azaniumyl]propyl]azanium has a molecular weight of 287.45 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-[[(1S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azaniumyl]propyl]azanium is sourced from PubChem (CID 2004357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).