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

C18H22N2 — CID 43490918

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

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

1-(9H-carbazol-3-yl)-N-ethylbutan-1-amine (PubChem CID 43490918) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(9H-carbazol-3-yl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(9H-carbazol-3-yl)-N-ethylbutan-1-amine
PubChem CID43490918
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-(9H-carbazol-3-yl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C18H22N2/c1-3-7-16(19-4-2)13-10-11-18-15(12-13)14-8-5-6-9-17(14)20-18/h5-6,8-12,16,19-20H,3-4,7H2,1-2H3
InChIKeyIUXCKBYZJQAJSQ-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-methylbutan-1-amine
CID 43483944
1-(9H-carbazol-3-yl)-N-ethyl-3-methylbutan-1-amine
CID 43490923
1-(9H-carbazol-3-yl)-N-propylpropan-1-amine
CID 43496200
1-(9H-carbazol-3-yl)-N,4-dimethylpentan-1-amine
CID 43483949
1-(9H-carbazol-3-yl)hexan-1-ol
CID 61088660
N-ethyl-1-naphthalen-2-ylbutan-1-amine
CID 62716918
1-(9H-carbazol-3-yl)propan-1-ol
CID 61087342
1-(9H-carbazol-3-yl)-N-methylethanamine
CID 43483946
1-(9H-carbazol-3-yl)-4-methylpentan-1-amine
CID 43096739
1-(9H-carbazol-3-yl)-4-methylpentan-1-ol
CID 61088469
N-ethyl-1-(3-methylphenyl)butan-1-amine
CID 60818713
bis(9H-carbazole);propane
CID 90987002

Frequently Asked Questions

What is the IUPAC name of 1-(9H-carbazol-3-yl)-N-ethylbutan-1-amine?
The IUPAC name of 1-(9H-carbazol-3-yl)-N-ethylbutan-1-amine (CID 43490918) is 1-(9H-carbazol-3-yl)-N-ethylbutan-1-amine.
What is the SMILES notation for 1-(9H-carbazol-3-yl)-N-ethylbutan-1-amine?
The canonical SMILES for 1-(9H-carbazol-3-yl)-N-ethylbutan-1-amine is CCCC(NCC)c1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 1-(9H-carbazol-3-yl)-N-ethylbutan-1-amine?
The InChIKey is IUXCKBYZJQAJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-7-16(19-4-2)13-10-11-18-15(12-13)14-8-5-6-9-17(14)20-18/h5-6,8-12,16,19-20H,3-4,7H2,1-2H3.
What are the key properties of 1-(9H-carbazol-3-yl)-N-ethylbutan-1-amine?
1-(9H-carbazol-3-yl)-N-ethylbutan-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-ethylbutan-1-amine is sourced from PubChem (CID 43490918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).