3-butyl-6-methyl-9H-carbazol-1-amine

C17H20N2 — CID 158247764

IUPAC3-butyl-6-methyl-9H-carbazol-1-amine
SMILESCCCCc1cc(N)c2[nH]c3ccc(C)cc3c2c1
InChIInChI=1S/C17H20N2/c1-3-4-5-12-9-14-13-8-11(2)6-7-16(13)19-17(14)15(18)10-12/h6-10,19H,3-5,18H2,1-2H3
InChIKeyGGIKGQMSQUAXLO-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.55
Rot. Bonds3

About 3-butyl-6-methyl-9H-carbazol-1-amine

3-butyl-6-methyl-9H-carbazol-1-amine (PubChem CID 158247764) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-butyl-6-methyl-9H-carbazol-1-amine.

Molecular Properties

Compound Name3-butyl-6-methyl-9H-carbazol-1-amine
PubChem CID158247764
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name3-butyl-6-methyl-9H-carbazol-1-amine
SMILESCCCCc1cc(N)c2[nH]c3ccc(C)cc3c2c1
InChIInChI=1S/C17H20N2/c1-3-4-5-12-9-14-13-8-11(2)6-7-16(13)19-17(14)15(18)10-12/h6-10,19H,3-5,18H2,1-2H3
InChIKeyGGIKGQMSQUAXLO-UHFFFAOYSA-N
XLogP4.55
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1,3,6-trimethyl-9H-carbazole
CID 139213984
6-(4-butylphenyl)-18-methyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
CID 145017998
3,6-dimethyl-9H-carbazole
CID 144942624
4-butyl-6-methyl-1H-quinolin-2-one
CID 166443059
1-chloro-3,6-dimethyl-9H-carbazole
CID 174314278
1-bromo-3,6-dimethyl-9H-carbazole
CID 155672564
3,6-bis(4-methylphenyl)-1-propyl-9H-carbazole
CID 175035545
8-methyl-5,11-dihydroindolo[3,2-b]carbazol-2-amine
CID 123384681
2,8,12-triethyl-6-pentyl-5,11-dihydroindolo[3,2-b]carbazole
CID 138966554
6-methyl-1-propan-2-yl-9H-pyrido[3,4-b]indol-3-amine
CID 115043154
2-(5-butyl-2-methyl-1H-indol-3-yl)ethylazanium
CID 2060969
4-decyl-6-octylnaphthalen-1-amine
CID 139692308

Frequently Asked Questions

What is the IUPAC name of 3-butyl-6-methyl-9H-carbazol-1-amine?
The IUPAC name of 3-butyl-6-methyl-9H-carbazol-1-amine (CID 158247764) is 3-butyl-6-methyl-9H-carbazol-1-amine.
What is the SMILES notation for 3-butyl-6-methyl-9H-carbazol-1-amine?
The canonical SMILES for 3-butyl-6-methyl-9H-carbazol-1-amine is CCCCc1cc(N)c2[nH]c3ccc(C)cc3c2c1.
What is the InChIKey of 3-butyl-6-methyl-9H-carbazol-1-amine?
The InChIKey is GGIKGQMSQUAXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-3-4-5-12-9-14-13-8-11(2)6-7-16(13)19-17(14)15(18)10-12/h6-10,19H,3-5,18H2,1-2H3.
What are the key properties of 3-butyl-6-methyl-9H-carbazol-1-amine?
3-butyl-6-methyl-9H-carbazol-1-amine has a molecular weight of 252.36 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-methyl-9H-carbazol-1-amine is sourced from PubChem (CID 158247764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).