N,2-dimethyl-N-[2-[1-methyl-3-[6-[(2-methylpropan-2-yl)oxy]hexyl]inden-1-yl]propan-2-yl]propan-2-amine;ethane

C30H53NO — CID 144971941

IUPACN,2-dimethyl-N-[2-[1-methyl-3-[6-[(2-methylpropan-2-yl)oxy]hexyl]inden-1-yl]propan-2-yl]propan-2-amine;ethane
SMILESCC.CN(C(C)(C)C)C(C)(C)C1(C)C=C(CCCCCCOC(C)(C)C)c2ccccc21
InChIInChI=1S/C28H47NO.C2H6/c1-25(2,3)29(10)27(7,8)28(9)21-22(23-18-14-15-19-24(23)28)17-13-11-12-16-20-30-26(4,5)6;1-2/h14-15,18-19,21H,11-13,16-17,20H2,1-10H3;1-2H3
InChIKeyGTIRLWYCUKWCGV-UHFFFAOYSA-N
MW443.76 g/mol
LogP8.64
Rot. Bonds9

About N,2-dimethyl-N-[2-[1-methyl-3-[6-[(2-methylpropan-2-yl)oxy]hexyl]inden-1-yl]propan-2-yl]propan-2-amine;ethane

N,2-dimethyl-N-[2-[1-methyl-3-[6-[(2-methylpropan-2-yl)oxy]hexyl]inden-1-yl]propan-2-yl]propan-2-amine;ethane (PubChem CID 144971941) has the molecular formula C30H53NO and a molecular weight of 443.76 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-[1-methyl-3-[6-[(2-methylpropan-2-yl)oxy]hexyl]inden-1-yl]propan-2-yl]propan-2-amine;ethane.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-[1-methyl-3-[6-[(2-methylpropan-2-yl)oxy]hexyl]inden-1-yl]propan-2-yl]propan-2-amine;ethane
PubChem CID144971941
Molecular FormulaC30H53NO
Molecular Weight443.76 g/mol
Exact Mass443.41
IUPAC NameN,2-dimethyl-N-[2-[1-methyl-3-[6-[(2-methylpropan-2-yl)oxy]hexyl]inden-1-yl]propan-2-yl]propan-2-amine;ethane
SMILESCC.CN(C(C)(C)C)C(C)(C)C1(C)C=C(CCCCCCOC(C)(C)C)c2ccccc21
InChIInChI=1S/C28H47NO.C2H6/c1-25(2,3)29(10)27(7,8)28(9)21-22(23-18-14-15-19-24(23)28)17-13-11-12-16-20-30-26(4,5)6;1-2/h14-15,18-19,21H,11-13,16-17,20H2,1-10H3;1-2H3
InChIKeyGTIRLWYCUKWCGV-UHFFFAOYSA-N
XLogP8.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.76
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,2-dimethyl-N-[2-[1-methyl-3-[6-[(2-methylpropan-2-yl)oxy]hexyl]inden-1-yl]propan-2-yl]propan-2-amine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-[1-methyl-3-[6-[(2-methylpropan-2-yl)oxy]hexyl]inden-1-yl]propan-2-yl]propan-2-amine;ethane?
The IUPAC name of N,2-dimethyl-N-[2-[1-methyl-3-[6-[(2-methylpropan-2-yl)oxy]hexyl]inden-1-yl]propan-2-yl]propan-2-amine;ethane (CID 144971941) is N,2-dimethyl-N-[2-[1-methyl-3-[6-[(2-methylpropan-2-yl)oxy]hexyl]inden-1-yl]propan-2-yl]propan-2-amine;ethane.
What is the SMILES notation for N,2-dimethyl-N-[2-[1-methyl-3-[6-[(2-methylpropan-2-yl)oxy]hexyl]inden-1-yl]propan-2-yl]propan-2-amine;ethane?
The canonical SMILES for N,2-dimethyl-N-[2-[1-methyl-3-[6-[(2-methylpropan-2-yl)oxy]hexyl]inden-1-yl]propan-2-yl]propan-2-amine;ethane is CC.CN(C(C)(C)C)C(C)(C)C1(C)C=C(CCCCCCOC(C)(C)C)c2ccccc21.
What is the InChIKey of N,2-dimethyl-N-[2-[1-methyl-3-[6-[(2-methylpropan-2-yl)oxy]hexyl]inden-1-yl]propan-2-yl]propan-2-amine;ethane?
The InChIKey is GTIRLWYCUKWCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H47NO.C2H6/c1-25(2,3)29(10)27(7,8)28(9)21-22(23-18-14-15-19-24(23)28)17-13-11-12-16-20-30-26(4,5)6;1-2/h14-15,18-19,21H,11-13,16-17,20H2,1-10H3;1-2H3.
What are the key properties of N,2-dimethyl-N-[2-[1-methyl-3-[6-[(2-methylpropan-2-yl)oxy]hexyl]inden-1-yl]propan-2-yl]propan-2-amine;ethane?
N,2-dimethyl-N-[2-[1-methyl-3-[6-[(2-methylpropan-2-yl)oxy]hexyl]inden-1-yl]propan-2-yl]propan-2-amine;ethane has a molecular weight of 443.76 g/mol, XLogP of 8.64, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-[1-methyl-3-[6-[(2-methylpropan-2-yl)oxy]hexyl]inden-1-yl]propan-2-yl]propan-2-amine;ethane is sourced from PubChem (CID 144971941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).