1,1,3,3,5-pentamethyl-6-pyrrolidin-1-yl-2H-inden-4-amine

C18H28N2 — CID 2803910

IUPAC1,1,3,3,5-pentamethyl-6-pyrrolidin-1-yl-2H-inden-4-amine
SMILESCc1c(N2CCCC2)cc2c(c1N)C(C)(C)CC2(C)C
InChIInChI=1S/C18H28N2/c1-12-14(20-8-6-7-9-20)10-13-15(16(12)19)18(4,5)11-17(13,2)3/h10H,6-9,11,19H2,1-5H3
InChIKeyCNIVMOUHLRLZOK-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.14
Rot. Bonds1

About 1,1,3,3,5-pentamethyl-6-pyrrolidin-1-yl-2H-inden-4-amine

1,1,3,3,5-pentamethyl-6-pyrrolidin-1-yl-2H-inden-4-amine (PubChem CID 2803910) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1,1,3,3,5-pentamethyl-6-pyrrolidin-1-yl-2H-inden-4-amine.

Molecular Properties

Compound Name1,1,3,3,5-pentamethyl-6-pyrrolidin-1-yl-2H-inden-4-amine
PubChem CID2803910
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1,1,3,3,5-pentamethyl-6-pyrrolidin-1-yl-2H-inden-4-amine
SMILESCc1c(N2CCCC2)cc2c(c1N)C(C)(C)CC2(C)C
InChIInChI=1S/C18H28N2/c1-12-14(20-8-6-7-9-20)10-13-15(16(12)19)18(4,5)11-17(13,2)3/h10H,6-9,11,19H2,1-5H3
InChIKeyCNIVMOUHLRLZOK-UHFFFAOYSA-N
XLogP4.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,5-pentamethyl-6-pyrrolidin-1-yl-2H-inden-4-amine?
The IUPAC name of 1,1,3,3,5-pentamethyl-6-pyrrolidin-1-yl-2H-inden-4-amine (CID 2803910) is 1,1,3,3,5-pentamethyl-6-pyrrolidin-1-yl-2H-inden-4-amine.
What is the SMILES notation for 1,1,3,3,5-pentamethyl-6-pyrrolidin-1-yl-2H-inden-4-amine?
The canonical SMILES for 1,1,3,3,5-pentamethyl-6-pyrrolidin-1-yl-2H-inden-4-amine is Cc1c(N2CCCC2)cc2c(c1N)C(C)(C)CC2(C)C.
What is the InChIKey of 1,1,3,3,5-pentamethyl-6-pyrrolidin-1-yl-2H-inden-4-amine?
The InChIKey is CNIVMOUHLRLZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-12-14(20-8-6-7-9-20)10-13-15(16(12)19)18(4,5)11-17(13,2)3/h10H,6-9,11,19H2,1-5H3.
What are the key properties of 1,1,3,3,5-pentamethyl-6-pyrrolidin-1-yl-2H-inden-4-amine?
1,1,3,3,5-pentamethyl-6-pyrrolidin-1-yl-2H-inden-4-amine has a molecular weight of 272.44 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,5-pentamethyl-6-pyrrolidin-1-yl-2H-inden-4-amine is sourced from PubChem (CID 2803910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).