1-(9H-carbazol-3-yl)-N-propylpropan-1-amine

C18H22N2 — CID 43496200

IUPAC1-(9H-carbazol-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C18H22N2/c1-3-11-19-16(4-2)13-9-10-18-15(12-13)14-7-5-6-8-17(14)20-18/h5-10,12,16,19-20H,3-4,11H2,1-2H3
InChIKeyRJWCNRAGGAURNA-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.77
Rot. Bonds5

About 1-(9H-carbazol-3-yl)-N-propylpropan-1-amine

1-(9H-carbazol-3-yl)-N-propylpropan-1-amine (PubChem CID 43496200) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(9H-carbazol-3-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(9H-carbazol-3-yl)-N-propylpropan-1-amine
PubChem CID43496200
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-(9H-carbazol-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C18H22N2/c1-3-11-19-16(4-2)13-9-10-18-15(12-13)14-7-5-6-8-17(14)20-18/h5-10,12,16,19-20H,3-4,11H2,1-2H3
InChIKeyRJWCNRAGGAURNA-UHFFFAOYSA-N
XLogP4.77
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(9H-carbazol-3-yl)-N-ethylbutan-1-amine
CID 43490918
1-(9H-carbazol-3-yl)-N-methylbutan-1-amine
CID 43483944
1-(9H-carbazol-3-yl)-N-ethyl-3-methylbutan-1-amine
CID 43490923
1-(9H-carbazol-3-yl)propan-1-ol
CID 61087342
1-(9H-carbazol-3-yl)hexan-1-ol
CID 61088660
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
1-(9H-carbazol-3-yl)-3-methylbutan-1-ol
CID 61087531
1-(9H-carbazol-3-yl)-4-(methylamino)butane-1,2-diol
CID 171891210
N'-(1-phenylpropyl)-N-propylethane-1,2-diamine
CID 54810053
9H-carbazole;propane-1,1-diol
CID 19846299
5-[1-(propylamino)pentyl]-1,3-dihydrobenzimidazol-2-one
CID 43496018
1-(9H-carbazol-3-yl)-4-methylpentan-1-ol
CID 61088469

Frequently Asked Questions

What is the IUPAC name of 1-(9H-carbazol-3-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(9H-carbazol-3-yl)-N-propylpropan-1-amine (CID 43496200) is 1-(9H-carbazol-3-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(9H-carbazol-3-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(9H-carbazol-3-yl)-N-propylpropan-1-amine is CCCNC(CC)c1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 1-(9H-carbazol-3-yl)-N-propylpropan-1-amine?
The InChIKey is RJWCNRAGGAURNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-11-19-16(4-2)13-9-10-18-15(12-13)14-7-5-6-8-17(14)20-18/h5-10,12,16,19-20H,3-4,11H2,1-2H3.
What are the key properties of 1-(9H-carbazol-3-yl)-N-propylpropan-1-amine?
1-(9H-carbazol-3-yl)-N-propylpropan-1-amine has a molecular weight of 266.39 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-carbazol-3-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 43496200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).