(1R,2R,3E)-2-(furan-2-yl)-1-methyl-3-pentylidene-2H-inden-1-amine

C19H23NO — CID 134948307

IUPAC(1R,2R,3E)-2-(furan-2-yl)-1-methyl-3-pentylidene-2H-inden-1-amine
SMILESCCCC/C=C1/c2ccccc2[C@](C)(N)[C@@H]1c1ccco1
InChIInChI=1S/C19H23NO/c1-3-4-5-10-15-14-9-6-7-11-16(14)19(2,20)18(15)17-12-8-13-21-17/h6-13,18H,3-5,20H2,1-2H3/b15-10-/t18-,19-/m0/s1
InChIKeyWAPFLAQTOGZPQD-WMVUTUSMSA-N
MW281.40 g/mol
LogP4.82
Rot. Bonds4

About (1R,2R,3E)-2-(furan-2-yl)-1-methyl-3-pentylidene-2H-inden-1-amine

(1R,2R,3E)-2-(furan-2-yl)-1-methyl-3-pentylidene-2H-inden-1-amine (PubChem CID 134948307) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (1R,2R,3E)-2-(furan-2-yl)-1-methyl-3-pentylidene-2H-inden-1-amine.

Molecular Properties

Compound Name(1R,2R,3E)-2-(furan-2-yl)-1-methyl-3-pentylidene-2H-inden-1-amine
PubChem CID134948307
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(1R,2R,3E)-2-(furan-2-yl)-1-methyl-3-pentylidene-2H-inden-1-amine
SMILESCCCC/C=C1/c2ccccc2[C@](C)(N)[C@@H]1c1ccco1
InChIInChI=1S/C19H23NO/c1-3-4-5-10-15-14-9-6-7-11-16(14)19(2,20)18(15)17-12-8-13-21-17/h6-13,18H,3-5,20H2,1-2H3/b15-10-/t18-,19-/m0/s1
InChIKeyWAPFLAQTOGZPQD-WMVUTUSMSA-N
XLogP4.82
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (1R,2R,3E)-2-(furan-2-yl)-1-methyl-3-pentylidene-2H-inden-1-amine?
The IUPAC name of (1R,2R,3E)-2-(furan-2-yl)-1-methyl-3-pentylidene-2H-inden-1-amine (CID 134948307) is (1R,2R,3E)-2-(furan-2-yl)-1-methyl-3-pentylidene-2H-inden-1-amine.
What is the SMILES notation for (1R,2R,3E)-2-(furan-2-yl)-1-methyl-3-pentylidene-2H-inden-1-amine?
The canonical SMILES for (1R,2R,3E)-2-(furan-2-yl)-1-methyl-3-pentylidene-2H-inden-1-amine is CCCC/C=C1/c2ccccc2[C@](C)(N)[C@@H]1c1ccco1.
What is the InChIKey of (1R,2R,3E)-2-(furan-2-yl)-1-methyl-3-pentylidene-2H-inden-1-amine?
The InChIKey is WAPFLAQTOGZPQD-WMVUTUSMSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-4-5-10-15-14-9-6-7-11-16(14)19(2,20)18(15)17-12-8-13-21-17/h6-13,18H,3-5,20H2,1-2H3/b15-10-/t18-,19-/m0/s1.
What are the key properties of (1R,2R,3E)-2-(furan-2-yl)-1-methyl-3-pentylidene-2H-inden-1-amine?
(1R,2R,3E)-2-(furan-2-yl)-1-methyl-3-pentylidene-2H-inden-1-amine has a molecular weight of 281.40 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3E)-2-(furan-2-yl)-1-methyl-3-pentylidene-2H-inden-1-amine is sourced from PubChem (CID 134948307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).