N-[(1,3-dimethylindol-2-yl)methyl]-2,2-dimethylbutan-1-amine

C17H26N2 — CID 107236351

IUPACN-[(1,3-dimethylindol-2-yl)methyl]-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCc1c(C)c2ccccc2n1C
InChIInChI=1S/C17H26N2/c1-6-17(3,4)12-18-11-16-13(2)14-9-7-8-10-15(14)19(16)5/h7-10,18H,6,11-12H2,1-5H3
InChIKeyCRQFHJGOPFBGQB-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.01
Rot. Bonds5

About N-[(1,3-dimethylindol-2-yl)methyl]-2,2-dimethylbutan-1-amine

N-[(1,3-dimethylindol-2-yl)methyl]-2,2-dimethylbutan-1-amine (PubChem CID 107236351) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[(1,3-dimethylindol-2-yl)methyl]-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylindol-2-yl)methyl]-2,2-dimethylbutan-1-amine
PubChem CID107236351
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[(1,3-dimethylindol-2-yl)methyl]-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCc1c(C)c2ccccc2n1C
InChIInChI=1S/C17H26N2/c1-6-17(3,4)12-18-11-16-13(2)14-9-7-8-10-15(14)19(16)5/h7-10,18H,6,11-12H2,1-5H3
InChIKeyCRQFHJGOPFBGQB-UHFFFAOYSA-N
XLogP4.01
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylindol-2-yl)methyl]-2,2-dimethylbutan-1-amine?
The IUPAC name of N-[(1,3-dimethylindol-2-yl)methyl]-2,2-dimethylbutan-1-amine (CID 107236351) is N-[(1,3-dimethylindol-2-yl)methyl]-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[(1,3-dimethylindol-2-yl)methyl]-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-[(1,3-dimethylindol-2-yl)methyl]-2,2-dimethylbutan-1-amine is CCC(C)(C)CNCc1c(C)c2ccccc2n1C.
What is the InChIKey of N-[(1,3-dimethylindol-2-yl)methyl]-2,2-dimethylbutan-1-amine?
The InChIKey is CRQFHJGOPFBGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-6-17(3,4)12-18-11-16-13(2)14-9-7-8-10-15(14)19(16)5/h7-10,18H,6,11-12H2,1-5H3.
What are the key properties of N-[(1,3-dimethylindol-2-yl)methyl]-2,2-dimethylbutan-1-amine?
N-[(1,3-dimethylindol-2-yl)methyl]-2,2-dimethylbutan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylindol-2-yl)methyl]-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 107236351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).