2-methyl-N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]propan-2-amine

C21H25N — CID 23014795

IUPAC2-methyl-N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]propan-2-amine
SMILESCC1=CCC(c2ccc3ccccc3c2CNC(C)(C)C)=C1
InChIInChI=1S/C21H25N/c1-15-9-10-17(13-15)19-12-11-16-7-5-6-8-18(16)20(19)14-22-21(2,3)4/h5-9,11-13,22H,10,14H2,1-4H3
InChIKeyRNRYNRYSVNQRLY-UHFFFAOYSA-N
MW291.44 g/mol
LogP5.46
Rot. Bonds3

About 2-methyl-N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]propan-2-amine

2-methyl-N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]propan-2-amine (PubChem CID 23014795) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-methyl-N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]propan-2-amine
PubChem CID23014795
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name2-methyl-N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]propan-2-amine
SMILESCC1=CCC(c2ccc3ccccc3c2CNC(C)(C)C)=C1
InChIInChI=1S/C21H25N/c1-15-9-10-17(13-15)19-12-11-16-7-5-6-8-18(16)20(19)14-22-21(2,3)4/h5-9,11-13,22H,10,14H2,1-4H3
InChIKeyRNRYNRYSVNQRLY-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]propan-2-amine (CID 23014795) is 2-methyl-N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]propan-2-amine is CC1=CCC(c2ccc3ccccc3c2CNC(C)(C)C)=C1.
What is the InChIKey of 2-methyl-N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]propan-2-amine?
The InChIKey is RNRYNRYSVNQRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N/c1-15-9-10-17(13-15)19-12-11-16-7-5-6-8-18(16)20(19)14-22-21(2,3)4/h5-9,11-13,22H,10,14H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]propan-2-amine?
2-methyl-N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]propan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl]propan-2-amine is sourced from PubChem (CID 23014795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).