N-[6-(butylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]butanamide

C21H31N3O — CID 18972117

IUPACN-[6-(butylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]butanamide
SMILESCCCCNCC1CCc2[nH]c3ccc(NC(=O)CCC)cc3c2C1
InChIInChI=1S/C21H31N3O/c1-3-5-11-22-14-15-7-9-19-17(12-15)18-13-16(8-10-20(18)24-19)23-21(25)6-4-2/h8,10,13,15,22,24H,3-7,9,11-12,14H2,1-2H3,(H,23,25)
InChIKeyNXKOGWPAWZBBBR-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.40
Rot. Bonds8

About N-[6-(butylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]butanamide

N-[6-(butylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]butanamide (PubChem CID 18972117) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[6-(butylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-(butylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]butanamide
PubChem CID18972117
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC NameN-[6-(butylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]butanamide
SMILESCCCCNCC1CCc2[nH]c3ccc(NC(=O)CCC)cc3c2C1
InChIInChI=1S/C21H31N3O/c1-3-5-11-22-14-15-7-9-19-17(12-15)18-13-16(8-10-20(18)24-19)23-21(25)6-4-2/h8,10,13,15,22,24H,3-7,9,11-12,14H2,1-2H3,(H,23,25)
InChIKeyNXKOGWPAWZBBBR-UHFFFAOYSA-N
XLogP4.40
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.40
H-Bond Donors ≤ 53
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

N-[6-[[1-(4-bromophenyl)ethylamino]methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-2-butoxyacetamide
CID 18971998
4-fluoro-N-[6-[[methyl(propyl)amino]methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-yl]benzamide
CID 54470636
N-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide
CID 22611338
N-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-iodobenzamide
CID 22611388
N-[6-(aminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-3-(trifluoromethoxy)benzamide
CID 18971914
N-butyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203690
N-[6-(diethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;hydrochloride
CID 70157355
(3-chlorophenyl)-[6-(ethylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]methanone
CID 18972114
N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]cyclopropanecarboxamide
CID 22611246
6-methyl-N-pentyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113204140
(3-fluorophenyl) N-[6-[[2-(1-propan-2-ylpyrazol-4-yl)ethylamino]methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate
CID 18971918
6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18104801

Frequently Asked Questions

What is the IUPAC name of N-[6-(butylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]butanamide?
The IUPAC name of N-[6-(butylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]butanamide (CID 18972117) is N-[6-(butylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]butanamide.
What is the SMILES notation for N-[6-(butylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]butanamide?
The canonical SMILES for N-[6-(butylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]butanamide is CCCCNCC1CCc2[nH]c3ccc(NC(=O)CCC)cc3c2C1.
What is the InChIKey of N-[6-(butylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]butanamide?
The InChIKey is NXKOGWPAWZBBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-3-5-11-22-14-15-7-9-19-17(12-15)18-13-16(8-10-20(18)24-19)23-21(25)6-4-2/h8,10,13,15,22,24H,3-7,9,11-12,14H2,1-2H3,(H,23,25).
What are the key properties of N-[6-(butylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]butanamide?
N-[6-(butylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]butanamide has a molecular weight of 341.50 g/mol, XLogP of 4.40, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butylaminomethyl)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]butanamide is sourced from PubChem (CID 18972117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).