(3-amino-2,3-dihydro-1H-inden-5-yl) N-hexyl-N-methylcarbamate

C17H26N2O2 — CID 11045652

IUPAC(3-amino-2,3-dihydro-1H-inden-5-yl) N-hexyl-N-methylcarbamate
SMILESCCCCCCN(C)C(=O)Oc1ccc2c(c1)C(N)CC2
InChIInChI=1S/C17H26N2O2/c1-3-4-5-6-11-19(2)17(20)21-14-9-7-13-8-10-16(18)15(13)12-14/h7,9,12,16H,3-6,8,10-11,18H2,1-2H3
InChIKeyMVADBDFEPSYKSC-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.64
Rot. Bonds6

About (3-amino-2,3-dihydro-1H-inden-5-yl) N-hexyl-N-methylcarbamate

(3-amino-2,3-dihydro-1H-inden-5-yl) N-hexyl-N-methylcarbamate (PubChem CID 11045652) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (3-amino-2,3-dihydro-1H-inden-5-yl) N-hexyl-N-methylcarbamate.

Molecular Properties

Compound Name(3-amino-2,3-dihydro-1H-inden-5-yl) N-hexyl-N-methylcarbamate
PubChem CID11045652
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(3-amino-2,3-dihydro-1H-inden-5-yl) N-hexyl-N-methylcarbamate
SMILESCCCCCCN(C)C(=O)Oc1ccc2c(c1)C(N)CC2
InChIInChI=1S/C17H26N2O2/c1-3-4-5-6-11-19(2)17(20)21-14-9-7-13-8-10-16(18)15(13)12-14/h7,9,12,16H,3-6,8,10-11,18H2,1-2H3
InChIKeyMVADBDFEPSYKSC-UHFFFAOYSA-N
XLogP3.64
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2,3-dihydro-1H-inden-5-yl) N-hexyl-N-methylcarbamate?
The IUPAC name of (3-amino-2,3-dihydro-1H-inden-5-yl) N-hexyl-N-methylcarbamate (CID 11045652) is (3-amino-2,3-dihydro-1H-inden-5-yl) N-hexyl-N-methylcarbamate.
What is the SMILES notation for (3-amino-2,3-dihydro-1H-inden-5-yl) N-hexyl-N-methylcarbamate?
The canonical SMILES for (3-amino-2,3-dihydro-1H-inden-5-yl) N-hexyl-N-methylcarbamate is CCCCCCN(C)C(=O)Oc1ccc2c(c1)C(N)CC2.
What is the InChIKey of (3-amino-2,3-dihydro-1H-inden-5-yl) N-hexyl-N-methylcarbamate?
The InChIKey is MVADBDFEPSYKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-4-5-6-11-19(2)17(20)21-14-9-7-13-8-10-16(18)15(13)12-14/h7,9,12,16H,3-6,8,10-11,18H2,1-2H3.
What are the key properties of (3-amino-2,3-dihydro-1H-inden-5-yl) N-hexyl-N-methylcarbamate?
(3-amino-2,3-dihydro-1H-inden-5-yl) N-hexyl-N-methylcarbamate has a molecular weight of 290.41 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,3-dihydro-1H-inden-5-yl) N-hexyl-N-methylcarbamate is sourced from PubChem (CID 11045652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).