6-methyl-1-propan-2-yl-9H-pyrido[3,4-b]indol-3-amine

C15H17N3 — CID 115043154

IUPAC6-methyl-1-propan-2-yl-9H-pyrido[3,4-b]indol-3-amine
SMILESCc1ccc2[nH]c3c(C(C)C)nc(N)cc3c2c1
InChIInChI=1S/C15H17N3/c1-8(2)14-15-11(7-13(16)18-14)10-6-9(3)4-5-12(10)17-15/h4-8,17H,1-3H3,(H2,16,18)
InChIKeyPHEUUWXOXNXQHD-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.73
Rot. Bonds1

About 6-methyl-1-propan-2-yl-9H-pyrido[3,4-b]indol-3-amine

6-methyl-1-propan-2-yl-9H-pyrido[3,4-b]indol-3-amine (PubChem CID 115043154) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-methyl-1-propan-2-yl-9H-pyrido[3,4-b]indol-3-amine.

Molecular Properties

Compound Name6-methyl-1-propan-2-yl-9H-pyrido[3,4-b]indol-3-amine
PubChem CID115043154
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name6-methyl-1-propan-2-yl-9H-pyrido[3,4-b]indol-3-amine
SMILESCc1ccc2[nH]c3c(C(C)C)nc(N)cc3c2c1
InChIInChI=1S/C15H17N3/c1-8(2)14-15-11(7-13(16)18-14)10-6-9(3)4-5-12(10)17-15/h4-8,17H,1-3H3,(H2,16,18)
InChIKeyPHEUUWXOXNXQHD-UHFFFAOYSA-N
XLogP3.73
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-9H-pyrido[3,4-b]indol-3-amine
CID 115021046
3,6-dimethyl-9H-carbazole
CID 144942624
1,3,6-trimethyl-9H-carbazole
CID 139213984
1-chloro-3,6-dimethyl-9H-carbazole
CID 174314278
1-bromo-3,6-dimethyl-9H-carbazole
CID 155672564
8-methyl-5,11-dihydroindolo[3,2-b]carbazol-2-amine
CID 123384681
1,3-dimethoxy-6-methyl-9H-carbazole
CID 171714907
2,8-dimethyl-5,11-dihydroquinolino[3,2-b]quinoline-6,12-dione
CID 24764365
2-amino-6-methyl-9H-pyrido[2,3-b]indole-3-carboxamide
CID 71173772
3-butyl-6-methyl-9H-carbazol-1-amine
CID 158247764
6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 19807228
2,7-dimethyl-10H-acridin-9-one
CID 13293445

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-propan-2-yl-9H-pyrido[3,4-b]indol-3-amine?
The IUPAC name of 6-methyl-1-propan-2-yl-9H-pyrido[3,4-b]indol-3-amine (CID 115043154) is 6-methyl-1-propan-2-yl-9H-pyrido[3,4-b]indol-3-amine.
What is the SMILES notation for 6-methyl-1-propan-2-yl-9H-pyrido[3,4-b]indol-3-amine?
The canonical SMILES for 6-methyl-1-propan-2-yl-9H-pyrido[3,4-b]indol-3-amine is Cc1ccc2[nH]c3c(C(C)C)nc(N)cc3c2c1.
What is the InChIKey of 6-methyl-1-propan-2-yl-9H-pyrido[3,4-b]indol-3-amine?
The InChIKey is PHEUUWXOXNXQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-8(2)14-15-11(7-13(16)18-14)10-6-9(3)4-5-12(10)17-15/h4-8,17H,1-3H3,(H2,16,18).
What are the key properties of 6-methyl-1-propan-2-yl-9H-pyrido[3,4-b]indol-3-amine?
6-methyl-1-propan-2-yl-9H-pyrido[3,4-b]indol-3-amine has a molecular weight of 239.32 g/mol, XLogP of 3.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-propan-2-yl-9H-pyrido[3,4-b]indol-3-amine is sourced from PubChem (CID 115043154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).