N-butan-2-yl-2-methyl-1,3-dihydroinden-2-amine

C14H21N — CID 115922520

IUPACN-butan-2-yl-2-methyl-1,3-dihydroinden-2-amine
SMILESCCC(C)NC1(C)Cc2ccccc2C1
InChIInChI=1S/C14H21N/c1-4-11(2)15-14(3)9-12-7-5-6-8-13(12)10-14/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyGSKBAEKZFNYJIE-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.93
Rot. Bonds3

About N-butan-2-yl-2-methyl-1,3-dihydroinden-2-amine

N-butan-2-yl-2-methyl-1,3-dihydroinden-2-amine (PubChem CID 115922520) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-butan-2-yl-2-methyl-1,3-dihydroinden-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-2-methyl-1,3-dihydroinden-2-amine
PubChem CID115922520
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-butan-2-yl-2-methyl-1,3-dihydroinden-2-amine
SMILESCCC(C)NC1(C)Cc2ccccc2C1
InChIInChI=1S/C14H21N/c1-4-11(2)15-14(3)9-12-7-5-6-8-13(12)10-14/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyGSKBAEKZFNYJIE-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methyl-1,3-dihydroinden-2-amine?
The IUPAC name of N-butan-2-yl-2-methyl-1,3-dihydroinden-2-amine (CID 115922520) is N-butan-2-yl-2-methyl-1,3-dihydroinden-2-amine.
What is the SMILES notation for N-butan-2-yl-2-methyl-1,3-dihydroinden-2-amine?
The canonical SMILES for N-butan-2-yl-2-methyl-1,3-dihydroinden-2-amine is CCC(C)NC1(C)Cc2ccccc2C1.
What is the InChIKey of N-butan-2-yl-2-methyl-1,3-dihydroinden-2-amine?
The InChIKey is GSKBAEKZFNYJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-4-11(2)15-14(3)9-12-7-5-6-8-13(12)10-14/h5-8,11,15H,4,9-10H2,1-3H3.
What are the key properties of N-butan-2-yl-2-methyl-1,3-dihydroinden-2-amine?
N-butan-2-yl-2-methyl-1,3-dihydroinden-2-amine has a molecular weight of 203.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-methyl-1,3-dihydroinden-2-amine is sourced from PubChem (CID 115922520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).