N-(3-methylbutyl)-N-phenyl-2,3-dihydro-1H-inden-5-amine

C20H25N — CID 11140465

IUPACN-(3-methylbutyl)-N-phenyl-2,3-dihydro-1H-inden-5-amine
SMILESCC(C)CCN(c1ccccc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H25N/c1-16(2)13-14-21(19-9-4-3-5-10-19)20-12-11-17-7-6-8-18(17)15-20/h3-5,9-12,15-16H,6-8,13-14H2,1-2H3
InChIKeyVRKRZFNVVHPFLT-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.36
Rot. Bonds5

About N-(3-methylbutyl)-N-phenyl-2,3-dihydro-1H-inden-5-amine

N-(3-methylbutyl)-N-phenyl-2,3-dihydro-1H-inden-5-amine (PubChem CID 11140465) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-phenyl-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-phenyl-2,3-dihydro-1H-inden-5-amine
PubChem CID11140465
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN-(3-methylbutyl)-N-phenyl-2,3-dihydro-1H-inden-5-amine
SMILESCC(C)CCN(c1ccccc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H25N/c1-16(2)13-14-21(19-9-4-3-5-10-19)20-12-11-17-7-6-8-18(17)15-20/h3-5,9-12,15-16H,6-8,13-14H2,1-2H3
InChIKeyVRKRZFNVVHPFLT-UHFFFAOYSA-N
XLogP5.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-phenyl-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-(3-methylbutyl)-N-phenyl-2,3-dihydro-1H-inden-5-amine (CID 11140465) is N-(3-methylbutyl)-N-phenyl-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-(3-methylbutyl)-N-phenyl-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-(3-methylbutyl)-N-phenyl-2,3-dihydro-1H-inden-5-amine is CC(C)CCN(c1ccccc1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(3-methylbutyl)-N-phenyl-2,3-dihydro-1H-inden-5-amine?
The InChIKey is VRKRZFNVVHPFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-16(2)13-14-21(19-9-4-3-5-10-19)20-12-11-17-7-6-8-18(17)15-20/h3-5,9-12,15-16H,6-8,13-14H2,1-2H3.
What are the key properties of N-(3-methylbutyl)-N-phenyl-2,3-dihydro-1H-inden-5-amine?
N-(3-methylbutyl)-N-phenyl-2,3-dihydro-1H-inden-5-amine has a molecular weight of 279.43 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-phenyl-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 11140465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).