N-propan-2-yl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine

C24H32N2 — CID 10066369

IUPACN-propan-2-yl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine
SMILESCC(C1=C(CCN(C(C)C)C(C)C)Cc2ccccc21)c1ccccn1
InChIInChI=1S/C24H32N2/c1-17(2)26(18(3)4)15-13-21-16-20-10-6-7-11-22(20)24(21)19(5)23-12-8-9-14-25-23/h6-12,14,17-19H,13,15-16H2,1-5H3
InChIKeyHBRHULDGKNIFGB-UHFFFAOYSA-N
MW348.53 g/mol
LogP5.70
Rot. Bonds7

About N-propan-2-yl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine

N-propan-2-yl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine (PubChem CID 10066369) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is N-propan-2-yl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine
PubChem CID10066369
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC NameN-propan-2-yl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine
SMILESCC(C1=C(CCN(C(C)C)C(C)C)Cc2ccccc21)c1ccccn1
InChIInChI=1S/C24H32N2/c1-17(2)26(18(3)4)15-13-21-16-20-10-6-7-11-22(20)24(21)19(5)23-12-8-9-14-25-23/h6-12,14,17-19H,13,15-16H2,1-5H3
InChIKeyHBRHULDGKNIFGB-UHFFFAOYSA-N
XLogP5.70
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine?
The IUPAC name of N-propan-2-yl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine (CID 10066369) is N-propan-2-yl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-propan-2-yl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine?
The canonical SMILES for N-propan-2-yl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine is CC(C1=C(CCN(C(C)C)C(C)C)Cc2ccccc21)c1ccccn1.
What is the InChIKey of N-propan-2-yl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine?
The InChIKey is HBRHULDGKNIFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2/c1-17(2)26(18(3)4)15-13-21-16-20-10-6-7-11-22(20)24(21)19(5)23-12-8-9-14-25-23/h6-12,14,17-19H,13,15-16H2,1-5H3.
What are the key properties of N-propan-2-yl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine?
N-propan-2-yl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine has a molecular weight of 348.53 g/mol, XLogP of 5.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 10066369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).