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

C17H20N2 — CID 43483944

IUPAC1-(9H-carbazol-3-yl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C17H20N2/c1-3-6-15(18-2)12-9-10-17-14(11-12)13-7-4-5-8-16(13)19-17/h4-5,7-11,15,18-19H,3,6H2,1-2H3
InChIKeyAXAJWYSXMJQVKE-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.38
Rot. Bonds4

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

1-(9H-carbazol-3-yl)-N-methylbutan-1-amine (PubChem CID 43483944) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(9H-carbazol-3-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(9H-carbazol-3-yl)-N-methylbutan-1-amine
PubChem CID43483944
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name1-(9H-carbazol-3-yl)-N-methylbutan-1-amine
SMILESCCCC(NC)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C17H20N2/c1-3-6-15(18-2)12-9-10-17-14(11-12)13-7-4-5-8-16(13)19-17/h4-5,7-11,15,18-19H,3,6H2,1-2H3
InChIKeyAXAJWYSXMJQVKE-UHFFFAOYSA-N
XLogP4.38
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(9H-carbazol-3-yl)-N,4-dimethylpentan-1-amine
CID 43483949
1-(9H-carbazol-3-yl)-N-ethylbutan-1-amine
CID 43490918
1-(9H-carbazol-3-yl)-N-propylpropan-1-amine
CID 43496200
1-(9H-carbazol-3-yl)-N-methylethanamine
CID 43483946
1-(9H-carbazol-3-yl)-N-ethyl-3-methylbutan-1-amine
CID 43490923
1-(9H-carbazol-3-yl)hexan-1-ol
CID 61088660
1-(9H-carbazol-3-yl)propan-1-ol
CID 61087342
1-(9H-carbazol-3-yl)-4-(methylamino)butane-1,2-diol
CID 171891210
1-(9H-carbazol-3-yl)-4-methylpentan-1-amine
CID 43096739
1-(9H-carbazol-3-yl)-4-methylpentan-1-ol
CID 61088469
1-(9H-carbazol-3-yl)-3-methylbutan-1-ol
CID 61087531
N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 19069357

Frequently Asked Questions

What is the IUPAC name of 1-(9H-carbazol-3-yl)-N-methylbutan-1-amine?
The IUPAC name of 1-(9H-carbazol-3-yl)-N-methylbutan-1-amine (CID 43483944) is 1-(9H-carbazol-3-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 1-(9H-carbazol-3-yl)-N-methylbutan-1-amine?
The canonical SMILES for 1-(9H-carbazol-3-yl)-N-methylbutan-1-amine is CCCC(NC)c1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of 1-(9H-carbazol-3-yl)-N-methylbutan-1-amine?
The InChIKey is AXAJWYSXMJQVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-3-6-15(18-2)12-9-10-17-14(11-12)13-7-4-5-8-16(13)19-17/h4-5,7-11,15,18-19H,3,6H2,1-2H3.
What are the key properties of 1-(9H-carbazol-3-yl)-N-methylbutan-1-amine?
1-(9H-carbazol-3-yl)-N-methylbutan-1-amine has a molecular weight of 252.36 g/mol, XLogP of 4.38, 4 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-methylbutan-1-amine is sourced from PubChem (CID 43483944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).